3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine

C35H36F6N6O — CID 71609639

About 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine (PubChem CID 71609639) has the molecular formula C35H36F6N6O and a molecular weight of 670.70 g/mol. Its IUPAC name is 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine
• PubChem CID: 71609639
• Molecular Formula: C35H36F6N6O
• Molecular Weight: 670.70 g/mol
• Exact Mass: 670.29
• IUPAC Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine
• SMILES: CC1(C)CCc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(-c4ccon4)cn3)c(N(CC3CC3)CC3CC3)nc21
• InChI: InChI=1S/C35H36F6N6O/c1-33(2)9-7-24-13-25(31(44-30(24)33)46(17-21-3-4-21)18-22-5-6-22)20-47(32-42-15-26(16-43-32)29-8-10-48-45-29)19-23-11-27(34(36,37)38)14-28(12-23)35(39,40)41/h8,10-16,21-22H,3-7,9,17-20H2,1-2H3
• InChIKey: FBDMWMAWNPVGTQ-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 71.18 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.70
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The IUPAC name of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine (CID 71609639) is 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine.

What is the SMILES notation for 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The canonical SMILES for 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine is CC1(C)CCc2cc(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ncc(-c4ccon4)cn3)c(N(CC3CC3)CC3CC3)nc21.

What is the InChIKey of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine?

The InChIKey is FBDMWMAWNPVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F6N6O/c1-33(2)9-7-24-13-25(31(44-30(24)33)46(17-21-3-4-21)18-22-5-6-22)20-47(32-42-15-26(16-43-32)29-8-10-48-45-29)19-23-11-27(34(36,37)38)14-28(12-23)35(39,40)41/h8,10-16,21-22H,3-7,9,17-20H2,1-2H3.

What are the key properties of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine?

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine has a molecular weight of 670.70 g/mol, XLogP of 8.62, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-N,N-bis(cyclopropylmethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 71609639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).