(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide

C21H24FN5O — CID 95110299

IUPAC(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCCCn1c([C@@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nc2cccnc21
InChIInChI=1S/C21H24FN5O/c1-2-11-27-19(25-18-4-3-10-23-20(18)27)16-9-12-26(14-16)21(28)24-13-15-5-7-17(22)8-6-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyQBRVUMLPJUIDNA-MRXNPFEDSA-N
MW381.46 g/mol
LogP3.68
Rot. Bonds5

About (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide

(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 95110299) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID95110299
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCCCn1c([C@@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nc2cccnc21
InChIInChI=1S/C21H24FN5O/c1-2-11-27-19(25-18-4-3-10-23-20(18)27)16-9-12-26(14-16)21(28)24-13-15-5-7-17(22)8-6-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyQBRVUMLPJUIDNA-MRXNPFEDSA-N
XLogP3.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 53191158
(3,4-difluorophenyl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054262
N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054348
[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 53191179
(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054265
(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
(3S)-N-benzyl-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 95108431
(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95112504
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 95110299) is (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide is CCCn1c([C@@H]2CCN(C(=O)NCc3ccc(F)cc3)C2)nc2cccnc21.
What is the InChIKey of (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is QBRVUMLPJUIDNA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-2-11-27-19(25-18-4-3-10-23-20(18)27)16-9-12-26(14-16)21(28)24-13-15-5-7-17(22)8-6-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,24,28)/t16-/m1/s1.
What are the key properties of (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide?
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95110299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).