1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

C25H21N5O — CID 97447325

IUPAC1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1
InChIInChI=1S/C25H21N5O/c31-25(27-15-12-19-5-4-14-26-17-19)23-13-16-30(28-23)24-11-10-22-9-8-21(18-29(22)24)20-6-2-1-3-7-20/h1-11,13-14,16-18H,12,15H2,(H,27,31)
InChIKeyBOZKPDRLWMSLJO-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.16
Rot. Bonds6

About 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (PubChem CID 97447325) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
PubChem CID97447325
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1
InChIInChI=1S/C25H21N5O/c31-25(27-15-12-19-5-4-14-26-17-19)23-13-16-30(28-23)24-11-10-22-9-8-21(18-29(22)24)20-6-2-1-3-7-20/h1-11,13-14,16-18H,12,15H2,(H,27,31)
InChIKeyBOZKPDRLWMSLJO-UHFFFAOYSA-N
XLogP4.16
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447454
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97410713
N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362092
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
N-[3-(dimethylamino)propyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362124
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 97447411
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97447388
N-(6-methyl-3-pyridinyl)-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362114
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97407502

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (CID 97447325) is 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is O=C(NCCc1cccnc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1.
What is the InChIKey of 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The InChIKey is BOZKPDRLWMSLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c31-25(27-15-12-19-5-4-14-26-17-19)23-13-16-30(28-23)24-11-10-22-9-8-21(18-29(22)24)20-6-2-1-3-7-20/h1-11,13-14,16-18H,12,15H2,(H,27,31).
What are the key properties of 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 97447325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).