3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide

C20H21N5O2 — CID 49497131

IUPAC3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccn(CCc3ccccn3)n2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H21N5O2/c1-13-18-15(6-4-7-16(18)26)22-19(13)20(27)23-17-9-12-25(24-17)11-8-14-5-2-3-10-21-14/h2-3,5,9-10,12,22H,4,6-8,11H2,1H3,(H,23,24,27)
InChIKeyKYHGTIFUHLKYNH-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.93
Rot. Bonds5

About 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 49497131) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID49497131
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccn(CCc3ccccn3)n2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C20H21N5O2/c1-13-18-15(6-4-7-16(18)26)22-19(13)20(27)23-17-9-12-25(24-17)11-8-14-5-2-3-10-21-14/h2-3,5,9-10,12,22H,4,6-8,11H2,1H3,(H,23,24,27)
InChIKeyKYHGTIFUHLKYNH-UHFFFAOYSA-N
XLogP2.93
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide (CID 49497131) is 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)Nc2ccn(CCc3ccccn3)n2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is KYHGTIFUHLKYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-18-15(6-4-7-16(18)26)22-19(13)20(27)23-17-9-12-25(24-17)11-8-14-5-2-3-10-21-14/h2-3,5,9-10,12,22H,4,6-8,11H2,1H3,(H,23,24,27).
What are the key properties of 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 49497131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).