N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H21N7O — CID 90160120

IUPACN-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C22H21N7O/c1-14-11-16(26-27(14)3)13-29-18-8-6-7-17(21(18)15(2)25-29)24-22(30)19-12-23-20-9-4-5-10-28(19)20/h4-12H,13H2,1-3H3,(H,24,30)
InChIKeyABBJOQZXDIXJKQ-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.33
Rot. Bonds4

About N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90160120) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90160120
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C22H21N7O/c1-14-11-16(26-27(14)3)13-29-18-8-6-7-17(21(18)15(2)25-29)24-22(30)19-12-23-20-9-4-5-10-28(19)20/h4-12H,13H2,1-3H3,(H,24,30)
InChIKeyABBJOQZXDIXJKQ-UHFFFAOYSA-N
XLogP3.33
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90160120) is N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ABBJOQZXDIXJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-14-11-16(26-27(14)3)13-29-18-8-6-7-17(21(18)15(2)25-29)24-22(30)19-12-23-20-9-4-5-10-28(19)20/h4-12H,13H2,1-3H3,(H,24,30).
What are the key properties of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90160120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).