2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C22H31N5O — CID 46957416

IUPAC2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1)CCCC2
InChIInChI=1S/C22H31N5O/c1-3-27-21(19-8-4-5-9-20(19)24-27)22(28)26(16-17-7-6-12-23-15-17)18-10-13-25(2)14-11-18/h6-7,12,15,18H,3-5,8-11,13-14,16H2,1-2H3
InChIKeyHSVFUBNLYNNIQJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.91
Rot. Bonds5

About 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 46957416) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID46957416
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1)CCCC2
InChIInChI=1S/C22H31N5O/c1-3-27-21(19-8-4-5-9-20(19)24-27)22(28)26(16-17-7-6-12-23-15-17)18-10-13-25(2)14-11-18/h6-7,12,15,18H,3-5,8-11,13-14,16H2,1-2H3
InChIKeyHSVFUBNLYNNIQJ-UHFFFAOYSA-N
XLogP2.91
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 46969467
4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 56887485
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 46957467
1-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
CID 131933819
N-(1-butylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 170623097
2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42796424
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 124822087
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-benzyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 75386321

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 46957416) is 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1)CCCC2.
What is the InChIKey of 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HSVFUBNLYNNIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-3-27-21(19-8-4-5-9-20(19)24-27)22(28)26(16-17-7-6-12-23-15-17)18-10-13-25(2)14-11-18/h6-7,12,15,18H,3-5,8-11,13-14,16H2,1-2H3.
What are the key properties of 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 46957416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).