N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide

C21H24FN5O2 — CID 87054348

IUPACN-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCCCn1c(C2CCN(C(=O)Nc3ccc(OC)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H24FN5O2/c1-3-10-27-19(25-17-5-4-9-23-20(17)27)14-8-11-26(13-14)21(28)24-15-6-7-18(29-2)16(22)12-15/h4-7,9,12,14H,3,8,10-11,13H2,1-2H3,(H,24,28)
InChIKeyWTPFYOKOXJHDLH-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.01
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide

N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 87054348) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID87054348
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCCCn1c(C2CCN(C(=O)Nc3ccc(OC)c(F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H24FN5O2/c1-3-10-27-19(25-17-5-4-9-23-20(17)27)14-8-11-26(13-14)21(28)24-15-6-7-18(29-2)16(22)12-15/h4-7,9,12,14H,3,8,10-11,13H2,1-2H3,(H,24,28)
InChIKeyWTPFYOKOXJHDLH-UHFFFAOYSA-N
XLogP4.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-difluorophenyl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054262
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 53191248
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050906
(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 95110255
N-(3,5-dimethylphenyl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054297
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 53191231
(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054265
[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 53191179
(5-chlorothiophen-2-yl)-[(3S)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110165
(5-chlorothiophen-2-yl)-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110164
(1-ethylpyrazol-3-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054273

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 87054348) is N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide is CCCn1c(C2CCN(C(=O)Nc3ccc(OC)c(F)c3)C2)nc2cccnc21.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is WTPFYOKOXJHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-3-10-27-19(25-17-5-4-9-23-20(17)27)14-8-11-26(13-14)21(28)24-15-6-7-18(29-2)16(22)12-15/h4-7,9,12,14H,3,8,10-11,13H2,1-2H3,(H,24,28).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 87054348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).