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

C22H23N5O — CID 97362117

IUPACN-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1
InChIInChI=1S/C22H23N5O/c1-3-4-14-25(2)22(28)20-11-15-27(24-20)21-8-7-19-6-5-18(16-26(19)21)17-9-12-23-13-10-17/h5-13,15-16H,3-4,14H2,1-2H3
InChIKeyXKHBFOZIXXJYIT-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.06
Rot. Bonds6

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

N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide (PubChem CID 97362117) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
PubChem CID97362117
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1
InChIInChI=1S/C22H23N5O/c1-3-4-14-25(2)22(28)20-11-15-27(24-20)21-8-7-19-6-5-18(16-26(19)21)17-9-12-23-13-10-17/h5-13,15-16H,3-4,14H2,1-2H3
InChIKeyXKHBFOZIXXJYIT-UHFFFAOYSA-N
XLogP4.06
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97407502
N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
N-[3-(dimethylamino)propyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362124
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
N-(6-methyl-3-pyridinyl)-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362114
1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362180
1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447454
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97407496
N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362385

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide (CID 97362117) is N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide is CCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1.
What is the InChIKey of N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
The InChIKey is XKHBFOZIXXJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-4-14-25(2)22(28)20-11-15-27(24-20)21-8-7-19-6-5-18(16-26(19)21)17-9-12-23-13-10-17/h5-13,15-16H,3-4,14H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 97362117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).