1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide

C24H25N5O2 — CID 70644372

IUPAC1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(C(=O)c4ccccc4C#N)CC3)ccc21
InChIInChI=1S/C24H25N5O2/c1-16(2)29-22-8-7-20(13-19(22)15-26-29)27-23(30)17-9-11-28(12-10-17)24(31)21-6-4-3-5-18(21)14-25/h3-8,13,15-17H,9-12H2,1-2H3,(H,27,30)
InChIKeyGRFZGGHDCBPRTP-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide

1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide (PubChem CID 70644372) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
PubChem CID70644372
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(C(=O)c4ccccc4C#N)CC3)ccc21
InChIInChI=1S/C24H25N5O2/c1-16(2)29-22-8-7-20(13-19(22)15-26-29)27-23(30)17-9-11-28(12-10-17)24(31)21-6-4-3-5-18(21)14-25/h3-8,13,15-17H,9-12H2,1-2H3,(H,27,30)
InChIKeyGRFZGGHDCBPRTP-UHFFFAOYSA-N
XLogP3.98
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanobenzoyl)-N-(2-propan-2-ylindazol-6-yl)piperidine-4-carboxamide
CID 46909213
N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide
CID 70644256
1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 26956252
2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone
CID 58578217
[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808184
2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
CID 166404074
1-(2-cyano-5-ethoxybenzoyl)-N-(3-pyridin-2-ylphenyl)piperidine-4-carboxamide
CID 46909211
N-naphthalen-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 84578515
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
2-(methylaminomethyl)-N-(1-propan-2-ylindazol-5-yl)pyrimidine-5-carboxamide
CID 166303240

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide (CID 70644372) is 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide is CC(C)n1ncc2cc(NC(=O)C3CCN(C(=O)c4ccccc4C#N)CC3)ccc21.
What is the InChIKey of 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide?
The InChIKey is GRFZGGHDCBPRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16(2)29-22-8-7-20(13-19(22)15-26-29)27-23(30)17-9-11-28(12-10-17)24(31)21-6-4-3-5-18(21)14-25/h3-8,13,15-17H,9-12H2,1-2H3,(H,27,30).
What are the key properties of 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide?
1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 70644372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).