2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H30N6O — CID 139008384

IUPAC2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C21H30N6O/c1-16(15-26-11-13-27(14-12-26)19-9-5-6-10-22-19)23-21(28)20-17-7-3-4-8-18(17)24-25(20)2/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,23,28)
InChIKeyBUVFEHNROMUBNS-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.63
Rot. Bonds5

About 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 139008384) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID139008384
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C21H30N6O/c1-16(15-26-11-13-27(14-12-26)19-9-5-6-10-22-19)23-21(28)20-17-7-3-4-8-18(17)24-25(20)2/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,23,28)
InChIKeyBUVFEHNROMUBNS-UHFFFAOYSA-N
XLogP1.63
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
3-(methylsulfonylmethyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968837
2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968915
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968929
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
1-methyl-3-(4-nitrophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 86968975
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778
1-(3-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 86968950
N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
CID 86969023
(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
CID 120941925
1-benzyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 86968889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 139008384) is 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)c1c2c(nn1C)CCCC2.
What is the InChIKey of 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is BUVFEHNROMUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-16(15-26-11-13-27(14-12-26)19-9-5-6-10-22-19)23-21(28)20-17-7-3-4-8-18(17)24-25(20)2/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,23,28).
What are the key properties of 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 139008384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).