4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C66H65F9N20OS2 — CID 163427963

IUPAC4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(F)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)s1.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F
InChIInChI=1S/C23H23F3N6O.C22H22F3N7S.C21H20F3N7S/c1-12-3-4-14(9-27-12)29-22-28-10-18(23(24,25)26)21(31-22)16-6-8-19-15(16)5-7-20(30-19)17-11-33-32-13(17)2;1-11-3-4-13(9-26-11)28-21-27-10-16(22(23,24)25)19(30-21)15-6-7-17-14(15)5-8-18(29-17)20-32-31-12(2)33-20;1-11-30-31-19(32-11)17-7-4-13-14(5-6-16(13)28-17)18-15(21(22,23)24)10-26-20(29-18)27-12-3-2-8-25-9-12/h5-7,10-12,14,27H,3-4,8-9H2,1-2H3,(H,28,29,31);5-6,8,10-11,13,26H,3-4,7,9H2,1-2H3,(H,27,28,30);4-5,7,10,12,25H,2-3,6,8-9H2,1H3,(H,26,27,29)/t12-,14-;11-,13-;12-/m110/s1
InChIKeyAODHLKAERSETEB-AJKFZHHTSA-N
MW1389.50 g/mol
LogP12.52
Rot. Bonds12

About 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 163427963) has the molecular formula C66H65F9N20OS2 and a molecular weight of 1389.50 g/mol. Its IUPAC name is 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID163427963
Molecular FormulaC66H65F9N20OS2
Molecular Weight1389.50 g/mol
Exact Mass1388.49
IUPAC Name4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(F)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)s1.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F
InChIInChI=1S/C23H23F3N6O.C22H22F3N7S.C21H20F3N7S/c1-12-3-4-14(9-27-12)29-22-28-10-18(23(24,25)26)21(31-22)16-6-8-19-15(16)5-7-20(30-19)17-11-33-32-13(17)2;1-11-3-4-13(9-26-11)28-21-27-10-16(22(23,24)25)19(30-21)15-6-7-17-14(15)5-8-18(29-17)20-32-31-12(2)33-20;1-11-30-31-19(32-11)17-7-4-13-14(5-6-16(13)28-17)18-15(21(22,23)24)10-26-20(29-18)27-12-3-2-8-25-9-12/h5-7,10-12,14,27H,3-4,8-9H2,1-2H3,(H,28,29,31);5-6,8,10-11,13,26H,3-4,7,9H2,1-2H3,(H,27,28,30);4-5,7,10,12,25H,2-3,6,8-9H2,1H3,(H,26,27,29)/t12-,14-;11-,13-;12-/m110/s1
InChIKeyAODHLKAERSETEB-AJKFZHHTSA-N
XLogP12.52
TPSA265.78 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.50
LogP ≤ 512.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-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-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 163427963) is 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(F)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)s1.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(F)(F)F.
What is the InChIKey of 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AODHLKAERSETEB-AJKFZHHTSA-N. The full InChI is InChI=1S/C23H23F3N6O.C22H22F3N7S.C21H20F3N7S/c1-12-3-4-14(9-27-12)29-22-28-10-18(23(24,25)26)21(31-22)16-6-8-19-15(16)5-7-20(30-19)17-11-33-32-13(17)2;1-11-3-4-13(9-26-11)28-21-27-10-16(22(23,24)25)19(30-21)15-6-7-17-14(15)5-8-18(29-17)20-32-31-12(2)33-20;1-11-30-31-19(32-11)17-7-4-13-14(5-6-16(13)28-17)18-15(21(22,23)24)10-26-20(29-18)27-12-3-2-8-25-9-12/h5-7,10-12,14,27H,3-4,8-9H2,1-2H3,(H,28,29,31);5-6,8,10-11,13,26H,3-4,7,9H2,1-2H3,(H,27,28,30);4-5,7,10,12,25H,2-3,6,8-9H2,1H3,(H,26,27,29)/t12-,14-;11-,13-;12-/m110/s1.
What are the key properties of 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1389.50 g/mol, XLogP of 12.52, 12 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-amine;4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 163427963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).