1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol

C152H157F4N25O15S2 — CID 158929562

IUPAC1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol
SMILESCN1CCC(n2cc(-c3cnc(N)c(OCc4cc(C#CC5(O)CC5)ccc4F)c3)cn2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CC5)c4)c3)cn2)CC1.Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1OCc1cccc(C#CC2(O)CC2)c1
InChIInChI=1S/C26H28FN5O2.C26H29N5O2.C25H25FN4O3.C25H25FN4O2S.C25H24FN3O3S.C25H26N4O3/c1-31-10-5-22(6-11-31)32-16-21(15-30-32)19-13-24(25(28)29-14-19)34-17-20-12-18(2-3-23(20)27)4-7-26(33)8-9-26;1-30-11-6-23(7-12-30)31-17-22(16-29-31)21-14-24(25(27)28-15-21)33-18-20-4-2-3-19(13-20)5-8-26(32)9-10-26;26-22-2-1-17(3-6-25(31)7-8-25)11-19(22)16-33-23-12-18(13-28-24(23)27)20-14-29-30(15-20)21-4-9-32-10-5-21;26-20-2-1-16(3-6-25(31)7-8-25)11-19(20)15-32-21-12-18(13-29-23(21)27)22-14-30-24(33-22)17-4-9-28-10-5-17;26-20-2-1-16(3-6-25(30)7-8-25)11-19(20)15-32-21-12-18(13-28-23(21)27)22-14-29-24(33-22)17-4-9-31-10-5-17;26-24-23(32-17-19-3-1-2-18(12-19)4-7-25(30)8-9-25)13-20(14-27-24)21-15-28-29(16-21)22-5-10-31-11-6-22/h2-3,12-16,22,33H,5-6,8-11,17H2,1H3,(H2,28,29);2-4,13-17,23,32H,6-7,9-12,18H2,1H3,(H2,27,28);1-2,11-15,21,31H,4-5,7-10,16H2,(H2,27,28);1-2,11-14,17,28,31H,4-5,7-10,15H2,(H2,27,29);1-2,11-14,17,30H,4-5,7-10,15H2,(H2,27,28);1-3,12-16,22,30H,5-6,8-11,17H2,(H2,26,27)
InChIKeyJIWLQNMYSYJEPJ-UHFFFAOYSA-N
MW2714.21 g/mol
LogP21.57
Rot. Bonds30

About 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol

1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol (PubChem CID 158929562) has the molecular formula C152H157F4N25O15S2 and a molecular weight of 2714.21 g/mol. Its IUPAC name is 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol
PubChem CID158929562
Molecular FormulaC152H157F4N25O15S2
Molecular Weight2714.21 g/mol
Exact Mass2712.17
IUPAC Name1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol
SMILESCN1CCC(n2cc(-c3cnc(N)c(OCc4cc(C#CC5(O)CC5)ccc4F)c3)cn2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CC5)c4)c3)cn2)CC1.Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1OCc1cccc(C#CC2(O)CC2)c1
InChIInChI=1S/C26H28FN5O2.C26H29N5O2.C25H25FN4O3.C25H25FN4O2S.C25H24FN3O3S.C25H26N4O3/c1-31-10-5-22(6-11-31)32-16-21(15-30-32)19-13-24(25(28)29-14-19)34-17-20-12-18(2-3-23(20)27)4-7-26(33)8-9-26;1-30-11-6-23(7-12-30)31-17-22(16-29-31)21-14-24(25(27)28-15-21)33-18-20-4-2-3-19(13-20)5-8-26(32)9-10-26;26-22-2-1-17(3-6-25(31)7-8-25)11-19(22)16-33-23-12-18(13-28-24(23)27)20-14-29-30(15-20)21-4-9-32-10-5-21;26-20-2-1-16(3-6-25(31)7-8-25)11-19(20)15-32-21-12-18(13-29-23(21)27)22-14-30-24(33-22)17-4-9-28-10-5-17;26-20-2-1-16(3-6-25(30)7-8-25)11-19(20)15-32-21-12-18(13-28-23(21)27)22-14-29-24(33-22)17-4-9-31-10-5-17;26-24-23(32-17-19-3-1-2-18(12-19)4-7-25(30)8-9-25)13-20(14-27-24)21-15-28-29(16-21)22-5-10-31-11-6-22/h2-3,12-16,22,33H,5-6,8-11,17H2,1H3,(H2,28,29);2-4,13-17,23,32H,6-7,9-12,18H2,1H3,(H2,27,28);1-2,11-15,21,31H,4-5,7-10,16H2,(H2,27,28);1-2,11-14,17,28,31H,4-5,7-10,15H2,(H2,27,29);1-2,11-14,17,30H,4-5,7-10,15H2,(H2,27,28);1-3,12-16,22,30H,5-6,8-11,17H2,(H2,26,27)
InChIKeyJIWLQNMYSYJEPJ-UHFFFAOYSA-N
XLogP21.57
TPSA553.48 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.21
LogP ≤ 521.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol (CID 158929562) is 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol is CN1CCC(n2cc(-c3cnc(N)c(OCc4cc(C#CC5(O)CC5)ccc4F)c3)cn2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CC5)c4)c3)cn2)CC1.Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1OCc1cc(C#CC2(O)CC2)ccc1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1OCc1cccc(C#CC2(O)CC2)c1.
What is the InChIKey of 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol?
The InChIKey is JIWLQNMYSYJEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2.C26H29N5O2.C25H25FN4O3.C25H25FN4O2S.C25H24FN3O3S.C25H26N4O3/c1-31-10-5-22(6-11-31)32-16-21(15-30-32)19-13-24(25(28)29-14-19)34-17-20-12-18(2-3-23(20)27)4-7-26(33)8-9-26;1-30-11-6-23(7-12-30)31-17-22(16-29-31)21-14-24(25(27)28-15-21)33-18-20-4-2-3-19(13-20)5-8-26(32)9-10-26;26-22-2-1-17(3-6-25(31)7-8-25)11-19(22)16-33-23-12-18(13-28-24(23)27)20-14-29-30(15-20)21-4-9-32-10-5-21;26-20-2-1-16(3-6-25(31)7-8-25)11-19(20)15-32-21-12-18(13-29-23(21)27)22-14-30-24(33-22)17-4-9-28-10-5-17;26-20-2-1-16(3-6-25(30)7-8-25)11-19(20)15-32-21-12-18(13-28-23(21)27)22-14-29-24(33-22)17-4-9-31-10-5-17;26-24-23(32-17-19-3-1-2-18(12-19)4-7-25(30)8-9-25)13-20(14-27-24)21-15-28-29(16-21)22-5-10-31-11-6-22/h2-3,12-16,22,33H,5-6,8-11,17H2,1H3,(H2,28,29);2-4,13-17,23,32H,6-7,9-12,18H2,1H3,(H2,27,28);1-2,11-15,21,31H,4-5,7-10,16H2,(H2,27,28);1-2,11-14,17,28,31H,4-5,7-10,15H2,(H2,27,29);1-2,11-14,17,30H,4-5,7-10,15H2,(H2,27,28);1-3,12-16,22,30H,5-6,8-11,17H2,(H2,26,27).
What are the key properties of 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol?
1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol has a molecular weight of 2714.21 g/mol, XLogP of 21.57, 30 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol;1-[2-[3-[[2-amino-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]-4-fluorophenyl]ethynyl]cyclopropan-1-ol is sourced from PubChem (CID 158929562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).