2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C32H32F3N5O2 — CID 11956281

About 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 11956281) has the molecular formula C32H32F3N5O2 and a molecular weight of 575.64 g/mol. Its IUPAC name is 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 11956281
• Molecular Formula: C32H32F3N5O2
• Molecular Weight: 575.64 g/mol
• Exact Mass: 575.25
• IUPAC Name: 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CN(C(=O)c1cccc2ccccc12)c1nc2n(c1C(=O)NC1CCN(Cc3ccc(C(F)(F)F)cc3)C1)CCCC2
• InChI: InChI=1S/C32H32F3N5O2/c1-38(31(42)26-10-6-8-22-7-2-3-9-25(22)26)29-28(40-17-5-4-11-27(40)37-29)30(41)36-24-16-18-39(20-24)19-21-12-14-23(15-13-21)32(33,34)35/h2-3,6-10,12-15,24H,4-5,11,16-20H2,1H3,(H,36,41)
• InChIKey: YOIPUYATNGNUJG-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.64
LogP ≤ 5	5.67
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]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 11956281) is 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CN(C(=O)c1cccc2ccccc12)c1nc2n(c1C(=O)NC1CCN(Cc3ccc(C(F)(F)F)cc3)C1)CCCC2.

What is the InChIKey of 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is YOIPUYATNGNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O2/c1-38(31(42)26-10-6-8-22-7-2-3-9-25(22)26)29-28(40-17-5-4-11-27(40)37-29)30(41)36-24-16-18-39(20-24)19-21-12-14-23(15-13-21)32(33,34)35/h2-3,6-10,12-15,24H,4-5,11,16-20H2,1H3,(H,36,41).

What are the key properties of 2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?

2-[methyl(naphthalene-1-carbonyl)amino]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 575.64 g/mol, XLogP of 5.67, 6 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]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 11956281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).