N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

C21H25FN4O — CID 97192179

IUPACN-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC[C@H](CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)N(C)CC
InChIInChI=1S/C21H25FN4O/c1-4-18(25(3)5-2)12-23-21(27)16-8-11-20-24-19(14-26(20)13-16)15-6-9-17(22)10-7-15/h6-11,13-14,18H,4-5,12H2,1-3H3,(H,23,27)/t18-/m1/s1
InChIKeyRSIPSVCAOMCVJR-GOSISDBHSA-N
MW368.46 g/mol
LogP3.60
Rot. Bonds7

About N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 97192179) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID97192179
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC[C@H](CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)N(C)CC
InChIInChI=1S/C21H25FN4O/c1-4-18(25(3)5-2)12-23-21(27)16-8-11-20-24-19(14-26(20)13-16)15-6-9-17(22)10-7-15/h6-11,13-14,18H,4-5,12H2,1-3H3,(H,23,27)/t18-/m1/s1
InChIKeyRSIPSVCAOMCVJR-GOSISDBHSA-N
XLogP3.60
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 97194005
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72851675
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72890538
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72874953
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72878617
2-phenyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72935701
N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96579471
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
2-(4-butan-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356930
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70786143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 97192179) is N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is CC[C@H](CNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)N(C)CC.
What is the InChIKey of N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is RSIPSVCAOMCVJR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-4-18(25(3)5-2)12-23-21(27)16-8-11-20-24-19(14-26(20)13-16)15-6-9-17(22)10-7-15/h6-11,13-14,18H,4-5,12H2,1-3H3,(H,23,27)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 97192179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).