2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

C17H21N7O — CID 172892019

IUPAC2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(c2nc3cccnc3n2C)CC1
InChIInChI=1S/C17H21N7O/c1-22-15-13(4-3-8-18-15)21-17(22)24-10-6-12(7-11-24)20-16(25)14-5-9-19-23(14)2/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,25)
InChIKeyBERMYBQYKQMCOD-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.10
Rot. Bonds3

About 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172892019) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172892019
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(c2nc3cccnc3n2C)CC1
InChIInChI=1S/C17H21N7O/c1-22-15-13(4-3-8-18-15)21-17(22)24-10-6-12(7-11-24)20-16(25)14-5-9-19-23(14)2/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,25)
InChIKeyBERMYBQYKQMCOD-UHFFFAOYSA-N
XLogP1.10
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172892019) is 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCN(c2nc3cccnc3n2C)CC1.
What is the InChIKey of 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is BERMYBQYKQMCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-22-15-13(4-3-8-18-15)21-17(22)24-10-6-12(7-11-24)20-16(25)14-5-9-19-23(14)2/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,25).
What are the key properties of 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172892019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).