tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide

C87H80F7N15O11 — CID 159271503

IUPACtert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(-c3cc(NC(=O)C4CC4)ccn3)cc2C#N)C(F)(F)C1.CC(Oc1ccc(-c2cc(NC(=O)C3CC3)ccn2)cc1C#N)C(F)(F)F.Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)[C@H](F)C2)o1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1F
InChIInChI=1S/C26H28F2N4O4.C26H24FN5O4.C19H16F3N3O2.C16H12FN3O/c1-25(2,3)36-24(34)32-11-9-22(26(27,28)15-32)35-21-7-6-17(12-18(21)14-29)20-13-19(8-10-30-20)31-23(33)16-4-5-16;1-15-30-13-24(35-15)26(34)32-9-7-23(20(27)14-32)36-22-5-4-17(10-18(22)12-28)21-11-19(6-8-29-21)31-25(33)16-2-3-16;1-11(19(20,21)22)27-17-5-4-13(8-14(17)10-23)16-9-15(6-7-24-16)25-18(26)12-2-3-12;17-14-4-3-11(7-12(14)9-18)15-8-13(5-6-19-15)20-16(21)10-1-2-10/h6-8,10,12-13,16,22H,4-5,9,11,15H2,1-3H3,(H,30,31,33);4-6,8,10-11,13,16,20,23H,2-3,7,9,14H2,1H3,(H,29,31,33);4-9,11-12H,2-3H2,1H3,(H,24,25,26);3-8,10H,1-2H2,(H,19,20,21)/t22-;20-,23+;;/m01../s1
InChIKeyKXTSGYURRRAOMH-SRPOKWKVSA-N
MW1644.68 g/mol
LogP16.30
Rot. Bonds19

About tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide

tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide (PubChem CID 159271503) has the molecular formula C87H80F7N15O11 and a molecular weight of 1644.68 g/mol. Its IUPAC name is tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound Nametert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide
PubChem CID159271503
Molecular FormulaC87H80F7N15O11
Molecular Weight1644.68 g/mol
Exact Mass1643.60
IUPAC Nametert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(-c3cc(NC(=O)C4CC4)ccn3)cc2C#N)C(F)(F)C1.CC(Oc1ccc(-c2cc(NC(=O)C3CC3)ccn2)cc1C#N)C(F)(F)F.Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)[C@H](F)C2)o1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1F
InChIInChI=1S/C26H28F2N4O4.C26H24FN5O4.C19H16F3N3O2.C16H12FN3O/c1-25(2,3)36-24(34)32-11-9-22(26(27,28)15-32)35-21-7-6-17(12-18(21)14-29)20-13-19(8-10-30-20)31-23(33)16-4-5-16;1-15-30-13-24(35-15)26(34)32-9-7-23(20(27)14-32)36-22-5-4-17(10-18(22)12-28)21-11-19(6-8-29-21)31-25(33)16-2-3-16;1-11(19(20,21)22)27-17-5-4-13(8-14(17)10-23)16-9-15(6-7-24-16)25-18(26)12-2-3-12;17-14-4-3-11(7-12(14)9-18)15-8-13(5-6-19-15)20-16(21)10-1-2-10/h6-8,10,12-13,16,22H,4-5,9,11,15H2,1-3H3,(H,30,31,33);4-6,8,10-11,13,16,20,23H,2-3,7,9,14H2,1H3,(H,29,31,33);4-9,11-12H,2-3H2,1H3,(H,24,25,26);3-8,10H,1-2H2,(H,19,20,21)/t22-;20-,23+;;/m01../s1
InChIKeyKXTSGYURRRAOMH-SRPOKWKVSA-N
XLogP16.30
TPSA366.69 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001644.68
LogP ≤ 516.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(1-methyltriazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 129256486
N-[2-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 129256349
tert-butyl (3R,4S)-4-[2-cyano-4-[2-[[2-(trifluoromethyl)cyclopropanecarbonyl]amino]-4-pyridinyl]phenoxy]-3-fluoropiperidine-1-carboxylate
CID 140792799
N-[4-[3-cyano-4-[(3R,4S)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129244436
tert-butyl 4-[4-(2-anilinopyrimidin-4-yl)-2-cyanophenoxy]-3,3-difluoropiperidine-1-carboxylate
CID 150935216
N-[6-[3-cyano-4-[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidin-4-yl]oxyphenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129244312
N-[2-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 129256471
tert-butyl (3R,4S)-4-[2-cyano-4-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]phenoxy]-3-fluoropiperidine-1-carboxylate
CID 138576582
N-[4-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129244152
tert-butyl 4-[2-cyano-4-[2-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenoxy]-3,3-difluoropiperidine-1-carboxylate
CID 138576545
N-[6-[3-cyano-4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129261015
tert-butyl (4S)-4-[2-cyano-4-[2-[4-[1-(oxetan-3-yl)piperidin-4-yl]anilino]pyrimidin-4-yl]phenoxy]-3,3-difluoropiperidine-1-carboxylate
CID 138561068

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide (CID 159271503) is tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide is CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(-c3cc(NC(=O)C4CC4)ccn3)cc2C#N)C(F)(F)C1.CC(Oc1ccc(-c2cc(NC(=O)C3CC3)ccn2)cc1C#N)C(F)(F)F.Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(-c4cc(NC(=O)C5CC5)ccn4)cc3C#N)[C@H](F)C2)o1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1F.
What is the InChIKey of tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
The InChIKey is KXTSGYURRRAOMH-SRPOKWKVSA-N. The full InChI is InChI=1S/C26H28F2N4O4.C26H24FN5O4.C19H16F3N3O2.C16H12FN3O/c1-25(2,3)36-24(34)32-11-9-22(26(27,28)15-32)35-21-7-6-17(12-18(21)14-29)20-13-19(8-10-30-20)31-23(33)16-4-5-16;1-15-30-13-24(35-15)26(34)32-9-7-23(20(27)14-32)36-22-5-4-17(10-18(22)12-28)21-11-19(6-8-29-21)31-25(33)16-2-3-16;1-11(19(20,21)22)27-17-5-4-13(8-14(17)10-23)16-9-15(6-7-24-16)25-18(26)12-2-3-12;17-14-4-3-11(7-12(14)9-18)15-8-13(5-6-19-15)20-16(21)10-1-2-10/h6-8,10,12-13,16,22H,4-5,9,11,15H2,1-3H3,(H,30,31,33);4-6,8,10-11,13,16,20,23H,2-3,7,9,14H2,1H3,(H,29,31,33);4-9,11-12H,2-3H2,1H3,(H,24,25,26);3-8,10H,1-2H2,(H,19,20,21)/t22-;20-,23+;;/m01../s1.
What are the key properties of tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide?
tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1644.68 g/mol, XLogP of 16.30, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidine-1-carboxylate;N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-(3-cyano-4-fluorophenyl)-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 159271503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).