4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C74H79F9N18O4 — CID 163860317

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCO[C@@H]1CCNC[C@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3nc(-c4c(C)noc4C)ccc32)n1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F
InChIInChI=1S/2C25H27F3N6O.C24H25F3N6O2/c1-13-21(14(2)35-34-13)20-8-5-16-17(6-7-19(16)32-20)22-18(25(26,27)28)11-30-23(33-22)31-15-9-24(3,4)12-29-10-15;1-13-21(14(2)35-34-13)20-8-5-16-17(6-7-19(16)32-20)22-18(25(26,27)28)12-29-23(33-22)31-15-9-10-24(3,4)30-11-15;1-12-21(13(2)35-33-12)18-7-4-14-15(5-6-17(14)30-18)22-16(24(25,26)27)10-29-23(32-22)31-19-11-28-9-8-20(19)34-3/h5-6,8,11,15,29H,7,9-10,12H2,1-4H3,(H,30,31,33);5-6,8,12,15,30H,7,9-11H2,1-4H3,(H,29,31,33);4-5,7,10,19-20,28H,6,8-9,11H2,1-3H3,(H,29,31,32)/t2*15-;19-,20-/m001/s1
InChIKeyPBXTZXMSGMYGRZ-OYQJTJGYSA-N
MW1455.55 g/mol
LogP13.98
Rot. Bonds13

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 163860317) has the molecular formula C74H79F9N18O4 and a molecular weight of 1455.55 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID163860317
Molecular FormulaC74H79F9N18O4
Molecular Weight1455.55 g/mol
Exact Mass1454.64
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCO[C@@H]1CCNC[C@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3nc(-c4c(C)noc4C)ccc32)n1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F
InChIInChI=1S/2C25H27F3N6O.C24H25F3N6O2/c1-13-21(14(2)35-34-13)20-8-5-16-17(6-7-19(16)32-20)22-18(25(26,27)28)11-30-23(33-22)31-15-9-24(3,4)12-29-10-15;1-13-21(14(2)35-34-13)20-8-5-16-17(6-7-19(16)32-20)22-18(25(26,27)28)12-29-23(33-22)31-15-9-10-24(3,4)30-11-15;1-12-21(13(2)35-33-12)18-7-4-14-15(5-6-17(14)30-18)22-16(24(25,26)27)10-29-23(32-22)31-19-11-28-9-8-20(19)34-3/h5-6,8,11,15,29H,7,9-10,12H2,1-4H3,(H,30,31,33);5-6,8,12,15,30H,7,9-11H2,1-4H3,(H,29,31,33);4-5,7,10,19-20,28H,6,8-9,11H2,1-3H3,(H,29,31,32)/t2*15-;19-,20-/m001/s1
InChIKeyPBXTZXMSGMYGRZ-OYQJTJGYSA-N
XLogP13.98
TPSA275.51 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001455.55
LogP ≤ 513.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 163860317) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CO[C@@H]1CCNC[C@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3nc(-c4c(C)noc4C)ccc32)n1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PBXTZXMSGMYGRZ-OYQJTJGYSA-N. The full InChI is InChI=1S/2C25H27F3N6O.C24H25F3N6O2/c1-13-21(14(2)35-34-13)20-8-5-16-17(6-7-19(16)32-20)22-18(25(26,27)28)11-30-23(33-22)31-15-9-24(3,4)12-29-10-15;1-13-21(14(2)35-34-13)20-8-5-16-17(6-7-19(16)32-20)22-18(25(26,27)28)12-29-23(33-22)31-15-9-10-24(3,4)30-11-15;1-12-21(13(2)35-33-12)18-7-4-14-15(5-6-17(14)30-18)22-16(24(25,26)27)10-29-23(32-22)31-19-11-28-9-8-20(19)34-3/h5-6,8,11,15,29H,7,9-10,12H2,1-4H3,(H,30,31,33);5-6,8,12,15,30H,7,9-11H2,1-4H3,(H,29,31,33);4-5,7,10,19-20,28H,6,8-9,11H2,1-3H3,(H,29,31,32)/t2*15-;19-,20-/m001/s1.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1455.55 g/mol, XLogP of 13.98, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 163860317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).