(7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

C18H21ClFN3O — CID 124617114

IUPAC(7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H21ClFN3O/c1-11(2)17(14-4-3-13(19)10-15(14)20)22-18(24)12-5-7-23-8-6-21-16(23)9-12/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,22,24)/t12-,17+/m0/s1
InChIKeyKAELZGKMATYBOS-YVEFUNNKSA-N
MW349.84 g/mol
LogP3.75
Rot. Bonds4

About (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

(7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 124617114) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID124617114
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name(7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H21ClFN3O/c1-11(2)17(14-4-3-13(19)10-15(14)20)22-18(24)12-5-7-23-8-6-21-16(23)9-12/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,22,24)/t12-,17+/m0/s1
InChIKeyKAELZGKMATYBOS-YVEFUNNKSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122009563
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 71912134
1-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122009567
1-[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568534
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568535
N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 110476602
N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112527700
2-[[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetic acid
CID 99784125
N-(2,4,4-trimethylpentan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 84578906
4-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532941
N-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112528929
2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
CID 75501534

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (CID 124617114) is (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is CC(C)[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1F.
What is the InChIKey of (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is KAELZGKMATYBOS-YVEFUNNKSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c1-11(2)17(14-4-3-13(19)10-15(14)20)22-18(24)12-5-7-23-8-6-21-16(23)9-12/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,22,24)/t12-,17+/m0/s1.
What are the key properties of (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
(7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 124617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).