5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine

C41H40N12 — CID 157306367

IUPAC5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(-c3ccc(NC(C)C)nc3)nc3ccncc32)cc1.Cc1ccc(-n2c(-c3cnc(N4CCCC4)nc3)nc3ccncc32)cn1
InChIInChI=1S/C21H21N5.C20H19N7/c1-14(2)24-20-9-6-16(12-23-20)21-25-18-10-11-22-13-19(18)26(21)17-7-4-15(3)5-8-17;1-14-4-5-16(12-22-14)27-18-13-21-7-6-17(18)25-19(27)15-10-23-20(24-11-15)26-8-2-3-9-26/h4-14H,1-3H3,(H,23,24);4-7,10-13H,2-3,8-9H2,1H3
InChIKeyBCNFVINIILFIIU-UHFFFAOYSA-N
MW700.86 g/mol
LogP7.79
Rot. Bonds7

About 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine

5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine (PubChem CID 157306367) has the molecular formula C41H40N12 and a molecular weight of 700.86 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
PubChem CID157306367
Molecular FormulaC41H40N12
Molecular Weight700.86 g/mol
Exact Mass700.35
IUPAC Name5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-n2c(-c3ccc(NC(C)C)nc3)nc3ccncc32)cc1.Cc1ccc(-n2c(-c3cnc(N4CCCC4)nc3)nc3ccncc32)cn1
InChIInChI=1S/C21H21N5.C20H19N7/c1-14(2)24-20-9-6-16(12-23-20)21-25-18-10-11-22-13-19(18)26(21)17-7-4-15(3)5-8-17;1-14-4-5-16(12-22-14)27-18-13-21-7-6-17(18)25-19(27)15-10-23-20(24-11-15)26-8-2-3-9-26/h4-14H,1-3H3,(H,23,24);4-7,10-13H,2-3,8-9H2,1H3
InChIKeyBCNFVINIILFIIU-UHFFFAOYSA-N
XLogP7.79
TPSA128.25 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.86
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine (CID 157306367) is 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine is Cc1ccc(-n2c(-c3ccc(NC(C)C)nc3)nc3ccncc32)cc1.Cc1ccc(-n2c(-c3cnc(N4CCCC4)nc3)nc3ccncc32)cn1.
What is the InChIKey of 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
The InChIKey is BCNFVINIILFIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.C20H19N7/c1-14(2)24-20-9-6-16(12-23-20)21-25-18-10-11-22-13-19(18)26(21)17-7-4-15(3)5-8-17;1-14-4-5-16(12-22-14)27-18-13-21-7-6-17(18)25-19(27)15-10-23-20(24-11-15)26-8-2-3-9-26/h4-14H,1-3H3,(H,23,24);4-7,10-13H,2-3,8-9H2,1H3.
What are the key properties of 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine has a molecular weight of 700.86 g/mol, XLogP of 7.79, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-ylpyridin-2-amine;3-(6-methyl-3-pyridinyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 157306367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).