N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide

C20H21N7O — CID 56836408

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cn3ccccc3n2)c1
InChIInChI=1S/C20H21N7O/c1-13-7-18(21)24-14(2)17(13)9-22-20(28)15-8-23-27(10-15)12-16-11-26-6-4-3-5-19(26)25-16/h3-8,10-11H,9,12H2,1-2H3,(H2,21,24)(H,22,28)
InChIKeyOYLJPVORLWINFY-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.10
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 56836408) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID56836408
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cn3ccccc3n2)c1
InChIInChI=1S/C20H21N7O/c1-13-7-18(21)24-14(2)17(13)9-22-20(28)15-8-23-27(10-15)12-16-11-26-6-4-3-5-19(26)25-16/h3-8,10-11H,9,12H2,1-2H3,(H2,21,24)(H,22,28)
InChIKeyOYLJPVORLWINFY-UHFFFAOYSA-N
XLogP2.10
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 56836408) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cn3ccccc3n2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is OYLJPVORLWINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-7-18(21)24-14(2)17(13)9-22-20(28)15-8-23-27(10-15)12-16-11-26-6-4-3-5-19(26)25-16/h3-8,10-11H,9,12H2,1-2H3,(H2,21,24)(H,22,28).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56836408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).