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

C21H24FN5O — CID 95112504

IUPAC(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C[C@H]2CCN(C(=O)NCc3cccc(F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H24FN5O/c1-2-27-19(25-18-7-4-9-23-20(18)27)12-16-8-10-26(14-16)21(28)24-13-15-5-3-6-17(22)11-15/h3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyLKLKGPOGBSBJMO-MRXNPFEDSA-N
MW381.45 g/mol
LogP3.36
Rot. Bonds5

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

(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 95112504) has the molecular formula C21H24FN5O and a molecular weight of 381.45 g/mol. Its IUPAC name is (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID95112504
Molecular FormulaC21H24FN5O
Molecular Weight381.45 g/mol
Exact Mass381.20
IUPAC Name(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C[C@H]2CCN(C(=O)NCc3cccc(F)c3)C2)nc2cccnc21
InChIInChI=1S/C21H24FN5O/c1-2-27-19(25-18-7-4-9-23-20(18)27)12-16-8-10-26(14-16)21(28)24-13-15-5-3-6-17(22)11-15/h3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyLKLKGPOGBSBJMO-MRXNPFEDSA-N
XLogP3.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
[3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 83273773
N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 83272706
N-[(3-fluorophenyl)methyl]-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46344473
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 53143754
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161382
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299
3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 83272666
N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 83272991
methyl 3-[[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carbonyl]amino]propanoate
CID 53194516

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 95112504) is (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide is CCn1c(C[C@H]2CCN(C(=O)NCc3cccc(F)c3)C2)nc2cccnc21.
What is the InChIKey of (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is LKLKGPOGBSBJMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-2-27-19(25-18-7-4-9-23-20(18)27)12-16-8-10-26(14-16)21(28)24-13-15-5-3-6-17(22)11-15/h3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,24,28)/t16-/m1/s1.
What are the key properties of (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95112504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).