[2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate

C29H24F6N4O3 — CID 87617143

About [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate

[2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 87617143) has the molecular formula C29H24F6N4O3 and a molecular weight of 590.52 g/mol. Its IUPAC name is [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
• PubChem CID: 87617143
• Molecular Formula: C29H24F6N4O3
• Molecular Weight: 590.52 g/mol
• Exact Mass: 590.18
• IUPAC Name: [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
• SMILES: CN(C(=O)c1cccc2ccccc12)c1nc2n(c1OC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2
• InChI: InChI=1S/C29H24F6N4O3/c1-38(25(40)22-10-6-8-18-7-2-3-9-21(18)22)24-26(39-12-5-4-11-23(39)37-24)42-27(41)36-16-17-13-19(28(30,31)32)15-20(14-17)29(33,34)35/h2-3,6-10,13-15H,4-5,11-12,16H2,1H3,(H,36,41)
• InChIKey: FBAAHBWDHJPDNI-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.52
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate?

The IUPAC name of [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate (CID 87617143) is [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate.

What is the SMILES notation for [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate?

The canonical SMILES for [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate is CN(C(=O)c1cccc2ccccc12)c1nc2n(c1OC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2.

What is the InChIKey of [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate?

The InChIKey is FBAAHBWDHJPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F6N4O3/c1-38(25(40)22-10-6-8-18-7-2-3-9-21(18)22)24-26(39-12-5-4-11-23(39)37-24)42-27(41)36-16-17-13-19(28(30,31)32)15-20(14-17)29(33,34)35/h2-3,6-10,13-15H,4-5,11-12,16H2,1H3,(H,36,41).

What are the key properties of [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate?

[2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 590.52 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 87617143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).