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

C22H27N5O2 — CID 95112501

IUPAC(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C[C@@H]2CCN(C(=O)NCc3ccc(OC)cc3)C2)nc2cccnc21
InChIInChI=1S/C22H27N5O2/c1-3-27-20(25-19-5-4-11-23-21(19)27)13-17-10-12-26(15-17)22(28)24-14-16-6-8-18(29-2)9-7-16/h4-9,11,17H,3,10,12-15H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeySNIHEUUGYMPWSX-KRWDZBQOSA-N
MW393.49 g/mol
LogP3.23
Rot. Bonds6

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

(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 95112501) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID95112501
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C[C@@H]2CCN(C(=O)NCc3ccc(OC)cc3)C2)nc2cccnc21
InChIInChI=1S/C22H27N5O2/c1-3-27-20(25-19-5-4-11-23-21(19)27)13-17-10-12-26(15-17)22(28)24-14-16-6-8-18(29-2)9-7-16/h4-9,11,17H,3,10,12-15H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeySNIHEUUGYMPWSX-KRWDZBQOSA-N
XLogP3.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95112504
[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-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 53194571
4-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189785
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
methyl 3-[[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carbonyl]amino]propanoate
CID 53194516
3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 83272666
1-[(3R)-3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97429258
2-(3-methoxyphenyl)-1-[(3S)-3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95112419
(3R)-N-[(4-fluorophenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 95110299
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide
CID 71800731

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 95112501) is (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is CCn1c(C[C@@H]2CCN(C(=O)NCc3ccc(OC)cc3)C2)nc2cccnc21.
What is the InChIKey of (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SNIHEUUGYMPWSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-27-20(25-19-5-4-11-23-21(19)27)13-17-10-12-26(15-17)22(28)24-14-16-6-8-18(29-2)9-7-16/h4-9,11,17H,3,10,12-15H2,1-2H3,(H,24,28)/t17-/m0/s1.
What are the key properties of (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95112501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).