(2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone

C22H26N4O — CID 83278122

IUPAC(2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(Cc2nc3cccnc3n2C(C)C)C1
InChIInChI=1S/C22H26N4O/c1-15(2)26-20(24-19-9-6-11-23-21(19)26)13-17-10-12-25(14-17)22(27)18-8-5-4-7-16(18)3/h4-9,11,15,17H,10,12-14H2,1-3H3
InChIKeyIFENMHIAOJWZJC-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.03
Rot. Bonds4

About (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone

(2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 83278122) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID83278122
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(Cc2nc3cccnc3n2C(C)C)C1
InChIInChI=1S/C22H26N4O/c1-15(2)26-20(24-19-9-6-11-23-21(19)26)13-17-10-12-25(14-17)22(27)18-8-5-4-7-16(18)3/h4-9,11,15,17H,10,12-14H2,1-3H3
InChIKeyIFENMHIAOJWZJC-UHFFFAOYSA-N
XLogP4.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 83278122) is (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(Cc2nc3cccnc3n2C(C)C)C1.
What is the InChIKey of (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is IFENMHIAOJWZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(2)26-20(24-19-9-6-11-23-21(19)26)13-17-10-12-25(14-17)22(27)18-8-5-4-7-16(18)3/h4-9,11,15,17H,10,12-14H2,1-3H3.
What are the key properties of (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
(2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 83278122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).