N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide

C21H22N6O — CID 97447361

IUPACN-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1
InChIInChI=1S/C21H22N6O/c1-25(2)14-12-23-21(28)19-9-13-27(24-19)20-6-5-18-4-3-17(15-26(18)20)16-7-10-22-11-8-16/h3-11,13,15H,12,14H2,1-2H3,(H,23,28)
InChIKeyQYGWGGIZASJEON-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide (PubChem CID 97447361) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
PubChem CID97447361
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1
InChIInChI=1S/C21H22N6O/c1-25(2)14-12-23-21(28)19-9-13-27(24-19)20-6-5-18-4-3-17(15-26(18)20)16-7-10-22-11-8-16/h3-11,13,15H,12,14H2,1-2H3,(H,23,28)
InChIKeyQYGWGGIZASJEON-UHFFFAOYSA-N
XLogP2.48
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)propyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362124
N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362117
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 97447425
1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325
N-(6-methyl-3-pyridinyl)-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362114
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97410713
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362092
1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447454
1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97447388
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxy-3-pyridinyl)pyrazole-3-carboxamide
CID 97362166

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide (CID 97447361) is N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide is CN(C)CCNC(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
The InChIKey is QYGWGGIZASJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-25(2)14-12-23-21(28)19-9-13-27(24-19)20-6-5-18-4-3-17(15-26(18)20)16-7-10-22-11-8-16/h3-11,13,15H,12,14H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 97447361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).