[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone

C24H25N5O — CID 118960252

IUPAC[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1
InChIInChI=1S/C24H25N5O/c1-28-16-20(15-25-28)18-7-5-17(6-8-18)13-23-21-14-19(9-10-22(21)26-27-23)24(30)29-11-3-2-4-12-29/h5-10,14-16H,2-4,11-13H2,1H3,(H,26,27)
InChIKeyGEANABGVEPQZHT-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.18
Rot. Bonds4

About [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone

[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 118960252) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
PubChem CID118960252
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1
InChIInChI=1S/C24H25N5O/c1-28-16-20(15-25-28)18-7-5-17(6-8-18)13-23-21-14-19(9-10-22(21)26-27-23)24(30)29-11-3-2-4-12-29/h5-10,14-16H,2-4,11-13H2,1H3,(H,26,27)
InChIKeyGEANABGVEPQZHT-UHFFFAOYSA-N
XLogP4.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Niraparib
CID 24958200
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
Dihydropyrrolopyrazole, 9
CID 10203646
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone (CID 118960252) is [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1.
What is the InChIKey of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is GEANABGVEPQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-16-20(15-25-28)18-7-5-17(6-8-18)13-23-21-14-19(9-10-22(21)26-27-23)24(30)29-11-3-2-4-12-29/h5-10,14-16H,2-4,11-13H2,1H3,(H,26,27).
What are the key properties of [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone?
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 399.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118960252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).