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

C35H39F3N6O — CID 118642720

About 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-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine (PubChem CID 118642720) has the molecular formula C35H39F3N6O and a molecular weight of 616.73 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 118642720
• Molecular Formula: C35H39F3N6O
• Molecular Weight: 616.73 g/mol
• Exact Mass: 616.31
• IUPAC Name: 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
• SMILES: Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccon3)cn2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C35H39F3N6O/c1-22-12-25(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/h9,11-17,23-24H,4-8,10,18-21H2,1-3H3
• InChIKey: HSYBJNBDHBFSSK-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 71.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.73
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 118642720) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(CN(Cc2cc3c(nc2N(CC2CC2)CC2CC2)C(C)(C)CC3)c2ncc(-c3ccon3)cn2)cc(C(F)(F)F)c1.

What is the InChIKey of 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?

The InChIKey is HSYBJNBDHBFSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F3N6O/c1-22-12-25(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/h9,11-17,23-24H,4-8,10,18-21H2,1-3H3.

What are the key properties of 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-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-5,6-dihydrocyclopenta[b]pyridin-2-amine has a molecular weight of 616.73 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 118642720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).