1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

C26H23N5O2 — CID 97447454

IUPAC1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESCOc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCCc5cccnc5)n4)n3c2)c1
InChIInChI=1S/C26H23N5O2/c1-33-23-6-2-5-20(16-23)21-7-8-22-9-10-25(30(22)18-21)31-15-12-24(29-31)26(32)28-14-11-19-4-3-13-27-17-19/h2-10,12-13,15-18H,11,14H2,1H3,(H,28,32)
InChIKeyXXJCRRQJOPPUKG-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.17
Rot. Bonds7

About 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (PubChem CID 97447454) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
PubChem CID97447454
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESCOc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCCc5cccnc5)n4)n3c2)c1
InChIInChI=1S/C26H23N5O2/c1-33-23-6-2-5-20(16-23)21-7-8-22-9-10-25(30(22)18-21)31-15-12-24(29-31)26(32)28-14-11-19-4-3-13-27-17-19/h2-10,12-13,15-18H,11,14H2,1H3,(H,28,32)
InChIKeyXXJCRRQJOPPUKG-UHFFFAOYSA-N
XLogP4.17
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-phenylindolizin-3-yl)-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447325
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 97447411
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-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 97362146
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxy-3-pyridinyl)pyrazole-3-carboxamide
CID 97362166
1-indolizin-3-yl-N-(3-methoxypropyl)pyrazole-3-carboxamide
CID 97362064
3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide
CID 97447981
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
N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 112529622
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (CID 97447454) is 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCCc5cccnc5)n4)n3c2)c1.
What is the InChIKey of 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XXJCRRQJOPPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-33-23-6-2-5-20(16-23)21-7-8-22-9-10-25(30(22)18-21)31-15-12-24(29-31)26(32)28-14-11-19-4-3-13-27-17-19/h2-10,12-13,15-18H,11,14H2,1H3,(H,28,32).
What are the key properties of 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 97447454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).