(E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine

C141H164F12N24O3 — CID 158011669

About (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine

(E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine (PubChem CID 158011669) has the molecular formula C141H164F12N24O3 and a molecular weight of 2471.00 g/mol. Its IUPAC name is (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine.

Molecular Properties

• Compound Name: (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine
• PubChem CID: 158011669
• Molecular Formula: C141H164F12N24O3
• Molecular Weight: 2471.00 g/mol
• Exact Mass: 2469.32
• IUPAC Name: (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine
• SMILES: CC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)nc1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccn[nH]3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccon3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(C(=O)/C=C/N(C)C)cn2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C37H45F3N6O.C35H40F3N7.C35H39F3N6O.C34H40F3N5O/c1-24-14-27(16-31(15-24)37(38,39)40)22-46(35-41-18-30(19-42-35)32(47)11-13-44(4)5)23-29-17-28-10-12-36(2,3)33(28)43-34(29)45(20-25-6-7-25)21-26-8-9-26;1-22-12-25(14-29(13-22)35(36,37)38)20-45(33-39-16-28(17-40-33)30-9-11-41-43-30)21-27-15-26-8-10-34(2,3)31(26)42-32(27)44(18-23-4-5-23)19-24-6-7-24;1-22-12-25(14-29(13-22)35(36,37)38)20-44(33-39-16-28(17-40-33)30-9-11-45-42-30)21-27-15-26-8-10-34(2,3)31(26)41-32(27)43(18-23-4-5-23)19-24-6-7-24;1-21-11-25(13-29(12-21)34(35,36)37)19-42(32-38-15-28(16-39-32)22(2)43)20-27-14-26-9-10-33(3,4)30(26)40-31(27)41(17-23-5-6-23)18-24-7-8-24/h11,13-19,25-26H,6-10,12,20-23H2,1-5H3;9,11-17,23-24H,4-8,10,18-21H2,1-3H3,(H,41,43);9,11-17,23-24H,4-8,10,18-21H2,1-3H3;11-16,23-24H,5-10,17-20H2,1-4H3/b13-11+
• InChIKey: FEYPVCKMMHLNFP-WNHODISBSA-N
• XLogP: 30.53
• TPSA: 272.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 46
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.00
LogP ≤ 5	30.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The IUPAC name of (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine (CID 158011669) is (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine.

What is the SMILES notation for (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The canonical SMILES for (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine is CC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)nc1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccn[nH]3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccon3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(C(=O)/C=C/N(C)C)cn2)cc(C(F)(F)F)c1.

What is the InChIKey of (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The InChIKey is FEYPVCKMMHLNFP-WNHODISBSA-N. The full InChI is InChI=1S/C37H45F3N6O.C35H40F3N7.C35H39F3N6O.C34H40F3N5O/c1-24-14-27(16-31(15-24)37(38,39)40)22-46(35-41-18-30(19-42-35)32(47)11-13-44(4)5)23-29-17-28-10-12-36(2,3)33(28)43-34(29)45(20-25-6-7-25)21-26-8-9-26;1-22-12-25(14-29(13-22)35(36,37)38)20-45(33-39-16-28(17-40-33)30-9-11-41-43-30)21-27-15-26-8-10-34(2,3)31(26)42-32(27)44(18-23-4-5-23)19-24-6-7-24;1-22-12-25(14-29(13-22)35(36,37)38)20-44(33-39-16-28(17-40-33)30-9-11-45-42-30)21-27-15-26-8-10-34(2,3)31(26)41-32(27)43(18-23-4-5-23)19-24-6-7-24;1-21-11-25(13-29(12-21)34(35,36)37)19-42(32-38-15-28(16-39-32)22(2)43)20-27-14-26-9-10-33(3,4)30(26)40-31(27)41(17-23-5-6-23)18-24-7-8-24/h11,13-19,25-26H,6-10,12,20-23H2,1-5H3;9,11-17,23-24H,4-8,10,18-21H2,1-3H3,(H,41,43);9,11-17,23-24H,4-8,10,18-21H2,1-3H3;11-16,23-24H,5-10,17-20H2,1-4H3/b13-11+;;;.

What are the key properties of (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

(E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine has a molecular weight of 2471.00 g/mol, XLogP of 30.53, 46 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one;1-[2-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 158011669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).