2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C30H45F3N6O2 — CID 171753672

About 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171753672) has the molecular formula C30H45F3N6O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 171753672
• Molecular Formula: C30H45F3N6O2
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.36
• IUPAC Name: 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: COC1([C@H](C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)C2)C2NNCN2C)CCC1
• InChI: InChI=1S/C30H45F3N6O2/c1-20-7-5-12-37(15-20)16-21-13-24(30(31,32)33)25-18-38(28(40)39(25)17-21)23-9-4-8-22(14-23)26(27-35-34-19-36(27)2)29(41-3)10-6-11-29/h13,17-18,20,22-23,26-27,34-35H,4-12,14-16,19H2,1-3H3/t20-,22?,23?,26+,27?/m0/s1
• InChIKey: RLWUAZVFYKSAGA-WVLUJNSTSA-N
• XLogP: 4.59
• TPSA: 66.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171753672) is 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is COC1([C@H](C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)C2)C2NNCN2C)CCC1.

What is the InChIKey of 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is RLWUAZVFYKSAGA-WVLUJNSTSA-N. The full InChI is InChI=1S/C30H45F3N6O2/c1-20-7-5-12-37(15-20)16-21-13-24(30(31,32)33)25-18-38(28(40)39(25)17-21)23-9-4-8-22(14-23)26(27-35-34-19-36(27)2)29(41-3)10-6-11-29/h13,17-18,20,22-23,26-27,34-35H,4-12,14-16,19H2,1-3H3/t20-,22?,23?,26+,27?/m0/s1.

What are the key properties of 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 578.72 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(R)-(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171753672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).