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

C23H29N5O2 — CID 83275991

IUPACN-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC(Cc2nc3cccnc3n2C(C)C)C1
InChIInChI=1S/C23H29N5O2/c1-15(2)28-21(25-18-6-5-10-24-22(18)28)13-17-9-11-27(14-17)23(29)26-19-12-16(3)7-8-20(19)30-4/h5-8,10,12,15,17H,9,11,13-14H2,1-4H3,(H,26,29)
InChIKeySGSUOOSZZLQBDW-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.43
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 83275991) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID83275991
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC(Cc2nc3cccnc3n2C(C)C)C1
InChIInChI=1S/C23H29N5O2/c1-15(2)28-21(25-18-6-5-10-24-22(18)28)13-17-9-11-27(14-17)23(29)26-19-12-16(3)7-8-20(19)30-4/h5-8,10,12,15,17H,9,11,13-14H2,1-4H3,(H,26,29)
InChIKeySGSUOOSZZLQBDW-UHFFFAOYSA-N
XLogP4.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide (CID 83275991) is N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCC(Cc2nc3cccnc3n2C(C)C)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SGSUOOSZZLQBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)28-21(25-18-6-5-10-24-22(18)28)13-17-9-11-27(14-17)23(29)26-19-12-16(3)7-8-20(19)30-4/h5-8,10,12,15,17H,9,11,13-14H2,1-4H3,(H,26,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 83275991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).