5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

C20H28N6O — CID 133144934

IUPAC5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCc1cnc(CNC(=O)C2CN(CC3CCCC3)Cc3ncn(C)c32)cn1
InChIInChI=1S/C20H28N6O/c1-14-7-22-16(8-21-14)9-23-20(27)17-11-26(10-15-5-3-4-6-15)12-18-19(17)25(2)13-24-18/h7-8,13,15,17H,3-6,9-12H2,1-2H3,(H,23,27)
InChIKeyAJMSIBJESXKLGF-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.92
Rot. Bonds5

About 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 133144934) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID133144934
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCc1cnc(CNC(=O)C2CN(CC3CCCC3)Cc3ncn(C)c32)cn1
InChIInChI=1S/C20H28N6O/c1-14-7-22-16(8-21-14)9-23-20(27)17-11-26(10-15-5-3-4-6-15)12-18-19(17)25(2)13-24-18/h7-8,13,15,17H,3-6,9-12H2,1-2H3,(H,23,27)
InChIKeyAJMSIBJESXKLGF-UHFFFAOYSA-N
XLogP1.92
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (CID 133144934) is 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is Cc1cnc(CNC(=O)C2CN(CC3CCCC3)Cc3ncn(C)c32)cn1.
What is the InChIKey of 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is AJMSIBJESXKLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-14-7-22-16(8-21-14)9-23-20(27)17-11-26(10-15-5-3-4-6-15)12-18-19(17)25(2)13-24-18/h7-8,13,15,17H,3-6,9-12H2,1-2H3,(H,23,27).
What are the key properties of 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 133144934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).