N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide

C23H29N5O — CID 83272991

IUPACN-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1c(CC2CCN(C(=O)NCCc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C23H29N5O/c1-17(2)28-21(26-20-9-6-12-24-22(20)28)15-19-11-14-27(16-19)23(29)25-13-10-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H,25,29)
InChIKeyCWMQUWABYICKLS-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.83
Rot. Bonds6

About N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide

N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 83272991) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID83272991
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1c(CC2CCN(C(=O)NCCc3ccccc3)C2)nc2cccnc21
InChIInChI=1S/C23H29N5O/c1-17(2)28-21(26-20-9-6-12-24-22(20)28)15-19-11-14-27(16-19)23(29)25-13-10-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H,25,29)
InChIKeyCWMQUWABYICKLS-UHFFFAOYSA-N
XLogP3.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 83272706
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
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexanecarboxamide
CID 53143762
(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)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53022727
1-[(3R)-3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97429258
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide (CID 83272991) is N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide is CC(C)n1c(CC2CCN(C(=O)NCCc3ccccc3)C2)nc2cccnc21.
What is the InChIKey of N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is CWMQUWABYICKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17(2)28-21(26-20-9-6-12-24-22(20)28)15-19-11-14-27(16-19)23(29)25-13-10-18-7-4-3-5-8-18/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H,25,29).
What are the key properties of N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 83272991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).