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

C29H24F6N4O2 — CID 11956230

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)c1nc2n(c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2
InChIInChI=1S/C29H24F6N4O2/c1-38(27(41)22-10-6-8-18-7-2-3-9-21(18)22)25-24(39-12-5-4-11-23(39)37-25)26(40)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,36,40)
InChIKeyYZCMQLCGCVGLDM-UHFFFAOYSA-N
MW574.53 g/mol
LogP6.62
Rot. Bonds5

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 11956230) has the molecular formula C29H24F6N4O2 and a molecular weight of 574.53 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID11956230
Molecular FormulaC29H24F6N4O2
Molecular Weight574.53 g/mol
Exact Mass574.18
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccc2ccccc12)c1nc2n(c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2
InChIInChI=1S/C29H24F6N4O2/c1-38(27(41)22-10-6-8-18-7-2-3-9-21(18)22)25-24(39-12-5-4-11-23(39)37-25)26(40)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,36,40)
InChIKeyYZCMQLCGCVGLDM-UHFFFAOYSA-N
XLogP6.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.53
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 11956230) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CN(C(=O)c1cccc2ccccc12)c1nc2n(c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YZCMQLCGCVGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F6N4O2/c1-38(27(41)22-10-6-8-18-7-2-3-9-21(18)22)25-24(39-12-5-4-11-23(39)37-25)26(40)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,36,40).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 574.53 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 11956230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).