N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide

C21H24FN5O2 — CID 53194824

IUPACN-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
SMILESCOCCn1c(C2CCN(C(=O)NCc3cccc(F)c3)C2)nc2ccncc21
InChIInChI=1S/C21H24FN5O2/c1-29-10-9-27-19-13-23-7-5-18(19)25-20(27)16-6-8-26(14-16)21(28)24-12-15-3-2-4-17(22)11-15/h2-5,7,11,13,16H,6,8-10,12,14H2,1H3,(H,24,28)
InChIKeyNKLPTKDCYIORQK-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.92
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide

N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide (PubChem CID 53194824) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
PubChem CID53194824
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
SMILESCOCCn1c(C2CCN(C(=O)NCc3cccc(F)c3)C2)nc2ccncc21
InChIInChI=1S/C21H24FN5O2/c1-29-10-9-27-19-13-23-7-5-18(19)25-20(27)16-6-8-26(14-16)21(28)24-12-15-3-2-4-17(22)11-15/h2-5,7,11,13,16H,6,8-10,12,14H2,1H3,(H,24,28)
InChIKeyNKLPTKDCYIORQK-UHFFFAOYSA-N
XLogP2.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 53194816
3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 83273802
(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 97429635
3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 95112673
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
N-[(3-fluorophenyl)methyl]-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019592
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299
N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 83272951
(3S)-N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429506
2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide (CID 53194824) is N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide is COCCn1c(C2CCN(C(=O)NCc3cccc(F)c3)C2)nc2ccncc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is NKLPTKDCYIORQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-29-10-9-27-19-13-23-7-5-18(19)25-20(27)16-6-8-26(14-16)21(28)24-12-15-3-2-4-17(22)11-15/h2-5,7,11,13,16H,6,8-10,12,14H2,1H3,(H,24,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53194824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).