5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

C25H21N5O3 — CID 66853339

IUPAC5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(Cn2cc(NC(=O)c3c[nH]c(=O)c(-c4cc5ccccc5[nH]4)c3)cn2)cc1
InChIInChI=1S/C25H21N5O3/c1-33-20-8-6-16(7-9-20)14-30-15-19(13-27-30)28-24(31)18-10-21(25(32)26-12-18)23-11-17-4-2-3-5-22(17)29-23/h2-13,15,29H,14H2,1H3,(H,26,32)(H,28,31)
InChIKeyHBUCPFIDSUOPQO-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.03
Rot. Bonds6

About 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 66853339) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID66853339
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(Cn2cc(NC(=O)c3c[nH]c(=O)c(-c4cc5ccccc5[nH]4)c3)cn2)cc1
InChIInChI=1S/C25H21N5O3/c1-33-20-8-6-16(7-9-20)14-30-15-19(13-27-30)28-24(31)18-10-21(25(32)26-12-18)23-11-17-4-2-3-5-22(17)29-23/h2-13,15,29H,14H2,1H3,(H,26,32)(H,28,31)
InChIKeyHBUCPFIDSUOPQO-UHFFFAOYSA-N
XLogP4.03
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 66853339) is 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is COc1ccc(Cn2cc(NC(=O)c3c[nH]c(=O)c(-c4cc5ccccc5[nH]4)c3)cn2)cc1.
What is the InChIKey of 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HBUCPFIDSUOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-33-20-8-6-16(7-9-20)14-30-15-19(13-27-30)28-24(31)18-10-21(25(32)26-12-18)23-11-17-4-2-3-5-22(17)29-23/h2-13,15,29H,14H2,1H3,(H,26,32)(H,28,31).
What are the key properties of 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66853339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).