N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide

C23H19N7O — CID 97362006

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)cn1
InChIInChI=1S/C23H19N7O/c1-16-11-26-19(13-25-16)14-27-23(31)21-8-10-28-30(21)22-7-6-20-5-4-18(15-29(20)22)17-3-2-9-24-12-17/h2-13,15H,14H2,1H3,(H,27,31)
InChIKeyJJNHATYIFYUXDQ-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.22
Rot. Bonds5

About N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide (PubChem CID 97362006) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
PubChem CID97362006
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)cn1
InChIInChI=1S/C23H19N7O/c1-16-11-26-19(13-25-16)14-27-23(31)21-8-10-28-30(21)22-7-6-20-5-4-18(15-29(20)22)17-3-2-9-24-12-17/h2-13,15H,14H2,1H3,(H,27,31)
InChIKeyJJNHATYIFYUXDQ-UHFFFAOYSA-N
XLogP3.22
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methyl-3-pyridinyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362010
N-(2-fluoro-4-methylphenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362018
N-pyridin-3-yl-2-(6-pyrimidin-5-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362031
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 97447409
N-(3-fluorophenyl)-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155841024
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97410713
3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97447266
1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97447388
4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
CID 97443166
4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841400
4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
CID 62847324

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide (CID 97362006) is N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide is Cc1cnc(CNC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
The InChIKey is JJNHATYIFYUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-16-11-26-19(13-25-16)14-27-23(31)21-8-10-28-30(21)22-7-6-20-5-4-18(15-29(20)22)17-3-2-9-24-12-17/h2-13,15H,14H2,1H3,(H,27,31).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 97362006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).