N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C24H20N6O — CID 97407502

IUPACN-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1
InChIInChI=1S/C24H20N6O/c1-28(17-20-4-2-3-12-26-20)24(31)22-11-15-30(27-22)23-8-7-21-6-5-19(16-29(21)23)18-9-13-25-14-10-18/h2-16H,17H2,1H3
InChIKeyKQLNTELFWZPXGO-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 97407502) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID97407502
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1
InChIInChI=1S/C24H20N6O/c1-28(17-20-4-2-3-12-26-20)24(31)22-11-15-30(27-22)23-8-7-21-6-5-19(16-29(21)23)18-9-13-25-14-10-18/h2-16H,17H2,1H3
InChIKeyKQLNTELFWZPXGO-UHFFFAOYSA-N
XLogP3.85
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97447388
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxy-3-pyridinyl)pyrazole-3-carboxamide
CID 97362166
1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 60589600
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 97447409
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
CID 69258575
CID 69258575
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 87041147
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 97407502) is N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is CN(Cc1ccccn1)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1.
What is the InChIKey of N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is KQLNTELFWZPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-28(17-20-4-2-3-12-26-20)24(31)22-11-15-30(27-22)23-8-7-21-6-5-19(16-29(21)23)18-9-13-25-14-10-18/h2-16H,17H2,1H3.
What are the key properties of N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 97407502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).