6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine

C131H162F15N25O2 — CID 159645633

About 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine

6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine (PubChem CID 159645633) has the molecular formula C131H162F15N25O2 and a molecular weight of 2403.88 g/mol. Its IUPAC name is 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine
• PubChem CID: 159645633
• Molecular Formula: C131H162F15N25O2
• Molecular Weight: 2403.88 g/mol
• Exact Mass: 2402.31
• IUPAC Name: 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine
• SMILES: CC1(C)CCc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc4[nH]c(=O)oc4c3)c(N(CC3CC3)CC3CC3)nc21.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2nnn(CC(C)C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CCC3)c2nnn(C)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C35H36F6N4O2.C33H44F3N7.C32H42F3N7.C31H40F3N7/c1-33(2)10-9-23-13-24(31(43-30(23)33)45(16-20-3-4-20)17-21-5-6-21)19-44(27-7-8-28-29(15-27)47-32(46)42-28)18-22-11-25(34(36,37)38)14-26(12-22)35(39,40)41;1-21(2)16-43-39-31(38-40-43)42(19-25-12-22(3)13-28(14-25)33(34,35)36)20-27-15-26-10-11-32(4,5)29(26)37-30(27)41(17-23-6-7-23)18-24-8-9-24;1-20(2)42-38-30(37-39-42)41(18-24-12-21(3)13-27(14-24)32(33,34)35)19-26-15-25-10-11-31(4,5)28(25)36-29(26)40(16-22-6-7-22)17-23-8-9-23;1-20-12-23(14-26(13-20)31(32,33)34)18-41(29-36-38-39(4)37-29)19-25-15-24-6-5-11-30(2,3)27(24)35-28(25)40(16-21-7-8-21)17-22-9-10-22/h7-8,11-15,20-21H,3-6,9-10,16-19H2,1-2H3,(H,42,46);12-15,21,23-24H,6-11,16-20H2,1-5H3;12-15,20,22-23H,6-11,16-19H2,1-5H3;12-15,21-22H,5-11,16-19H2,1-4H3
• InChIKey: MQXMZNUMCIZXRK-UHFFFAOYSA-N
• XLogP: 29.13
• TPSA: 254.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 43
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.88
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The IUPAC name of 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine (CID 159645633) is 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine.

What is the SMILES notation for 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The canonical SMILES for 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine is CC1(C)CCc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc4[nH]c(=O)oc4c3)c(N(CC3CC3)CC3CC3)nc21.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2nnn(C(C)C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2nnn(CC(C)C)n2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CCC3)c2nnn(C)n2)cc(C(F)(F)F)c1.

What is the InChIKey of 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The InChIKey is MQXMZNUMCIZXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F6N4O2.C33H44F3N7.C32H42F3N7.C31H40F3N7/c1-33(2)10-9-23-13-24(31(43-30(23)33)45(16-20-3-4-20)17-21-5-6-21)19-44(27-7-8-28-29(15-27)47-32(46)42-28)18-22-11-25(34(36,37)38)14-26(12-22)35(39,40)41;1-21(2)16-43-39-31(38-40-43)42(19-25-12-22(3)13-28(14-25)33(34,35)36)20-27-15-26-10-11-32(4,5)29(26)37-30(27)41(17-23-6-7-23)18-24-8-9-24;1-20(2)42-38-30(37-39-42)41(18-24-12-21(3)13-27(14-24)32(33,34)35)19-26-15-25-10-11-31(4,5)28(25)36-29(26)40(16-22-6-7-22)17-23-8-9-23;1-20-12-23(14-26(13-20)31(32,33)34)18-41(29-36-38-39(4)37-29)19-25-15-24-6-5-11-30(2,3)27(24)35-28(25)40(16-21-7-8-21)17-22-9-10-22/h7-8,11-15,20-21H,3-6,9-10,16-19H2,1-2H3,(H,42,46);12-15,21,23-24H,6-11,16-20H2,1-5H3;12-15,20,22-23H,6-11,16-19H2,1-5H3;12-15,21-22H,5-11,16-19H2,1-4H3.

What are the key properties of 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine?

6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine has a molecular weight of 2403.88 g/mol, XLogP of 29.13, 43 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[bis(cyclopropylmethyl)amino]-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-3-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-3H-1,3-benzoxazol-2-one;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[2-(2-methylpropyl)tetrazol-5-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine;N,N-bis(cyclopropylmethyl)-8,8-dimethyl-3-[[(2-methyltetrazol-5-yl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-6,7-dihydro-5H-quinolin-2-amine;N,N-bis(cyclopropylmethyl)-7,7-dimethyl-3-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(2-propan-2-yltetrazol-5-yl)amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 159645633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).