(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C74H77F9N20O5 — CID 163427279

IUPAC(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(=O)[C@H]1CNC[C@@H](Nc2ncc(C(F)(F)F)c(C3=CCc4nc(-c5c(C)noc5C)ccc43)n2)C1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNC[C@H](C(=O)N(C)C)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F
InChIInChI=1S/C26H28F3N7O2.C26H27F3N6O2.C22H22F3N7O/c1-13-22(14(2)38-35-13)21-8-5-17-18(6-7-20(17)33-21)23-19(26(27,28)29)12-31-25(34-23)32-16-9-15(10-30-11-16)24(37)36(3)4;1-4-22(36)15-9-16(11-30-10-15)32-25-31-12-19(26(27,28)29)24(34-25)18-6-7-20-17(18)5-8-21(33-20)23-13(2)35-37-14(23)3;1-11-18(12(2)33-32-11)16-6-5-14-17(30-16)10-27-19(14)20-15(22(23,24)25)9-28-21(31-20)29-13-4-3-7-26-8-13/h5-6,8,12,15-16,30H,7,9-11H2,1-4H3,(H,31,32,34);5-6,8,12,15-16,30H,4,7,9-11H2,1-3H3,(H,31,32,34);5-6,9,13,26H,3-4,7-8,10H2,1-2H3,(H,28,29,31)/t2*15-,16+;13-/m110/s1
InChIKeyANPKUOJEYDRJBU-BUZSWJONSA-N
MW1497.55 g/mol
LogP11.82
Rot. Bonds15

About (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 163427279) has the molecular formula C74H77F9N20O5 and a molecular weight of 1497.55 g/mol. Its IUPAC name is (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID163427279
Molecular FormulaC74H77F9N20O5
Molecular Weight1497.55 g/mol
Exact Mass1496.62
IUPAC Name(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(=O)[C@H]1CNC[C@@H](Nc2ncc(C(F)(F)F)c(C3=CCc4nc(-c5c(C)noc5C)ccc43)n2)C1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNC[C@H](C(=O)N(C)C)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F
InChIInChI=1S/C26H28F3N7O2.C26H27F3N6O2.C22H22F3N7O/c1-13-22(14(2)38-35-13)21-8-5-17-18(6-7-20(17)33-21)23-19(26(27,28)29)12-31-25(34-23)32-16-9-15(10-30-11-16)24(37)36(3)4;1-4-22(36)15-9-16(11-30-10-15)32-25-31-12-19(26(27,28)29)24(34-25)18-6-7-20-17(18)5-8-21(33-20)23-13(2)35-37-14(23)3;1-11-18(12(2)33-32-11)16-6-5-14-17(30-16)10-27-19(14)20-15(22(23,24)25)9-28-21(31-20)29-13-4-3-7-26-8-13/h5-6,8,12,15-16,30H,7,9-11H2,1-4H3,(H,31,32,34);5-6,8,12,15-16,30H,4,7,9-11H2,1-3H3,(H,31,32,34);5-6,9,13,26H,3-4,7-8,10H2,1-2H3,(H,28,29,31)/t2*15-,16+;13-/m110/s1
InChIKeyANPKUOJEYDRJBU-BUZSWJONSA-N
XLogP11.82
TPSA316.02 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001497.55
LogP ≤ 511.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 162645914
1-[(3R)-3-[[4-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 145984370
1-[(3R)-3-[[4-[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 145992945
1-[(3R)-3-[[4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 145993257
6-(3-fluorophenyl)-N-[1-[4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268412
(5Z)-5-[[2-[4-[[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 117716365
(5E)-5-[[2-[4-[[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 117716367
(5Z)-5-[[2-[4-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(trifluoromethyl)pyridin-4-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 117716483
(5E)-5-[[2-[4-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(trifluoromethyl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 117716484
(5Z)-5-[[2-[4-[[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 117716523
(5E)-5-[[2-[4-[[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 117716524
[5-Methyl-2-[3-methyl-2-[3-methyl-1-[5-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-4-yl]-1,2-oxazol-2-ium-5-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123406293

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 163427279) is (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CCC(=O)[C@H]1CNC[C@@H](Nc2ncc(C(F)(F)F)c(C3=CCc4nc(-c5c(C)noc5C)ccc43)n2)C1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNC[C@H](C(=O)N(C)C)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F.
What is the InChIKey of (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ANPKUOJEYDRJBU-BUZSWJONSA-N. The full InChI is InChI=1S/C26H28F3N7O2.C26H27F3N6O2.C22H22F3N7O/c1-13-22(14(2)38-35-13)21-8-5-17-18(6-7-20(17)33-21)23-19(26(27,28)29)12-31-25(34-23)32-16-9-15(10-30-11-16)24(37)36(3)4;1-4-22(36)15-9-16(11-30-10-15)32-25-31-12-19(26(27,28)29)24(34-25)18-6-7-20-17(18)5-8-21(33-20)23-13(2)35-37-14(23)3;1-11-18(12(2)33-32-11)16-6-5-14-17(30-16)10-27-19(14)20-15(22(23,24)25)9-28-21(31-20)29-13-4-3-7-26-8-13/h5-6,8,12,15-16,30H,7,9-11H2,1-4H3,(H,31,32,34);5-6,8,12,15-16,30H,4,7,9-11H2,1-3H3,(H,31,32,34);5-6,9,13,26H,3-4,7-8,10H2,1-2H3,(H,28,29,31)/t2*15-,16+;13-/m110/s1.
What are the key properties of (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1497.55 g/mol, XLogP of 11.82, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 163427279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).