N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide

C25H28N6O — CID 45190792

IUPACN-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESCc1cc(-n2cccn2)ccc1CN1CCCC(CNC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C25H28N6O/c1-18-14-21(31-13-5-11-27-31)10-9-20(18)17-30-12-4-6-19(16-30)15-26-25(32)24-22-7-2-3-8-23(22)28-29-24/h2-3,5,7-11,13-14,19H,4,6,12,15-17H2,1H3,(H,26,32)(H,28,29)
InChIKeyQMTKKZSNUDKKBB-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.70
Rot. Bonds6

About N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide

N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 45190792) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID45190792
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESCc1cc(-n2cccn2)ccc1CN1CCCC(CNC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C25H28N6O/c1-18-14-21(31-13-5-11-27-31)10-9-20(18)17-30-12-4-6-19(16-30)15-26-25(32)24-22-7-2-3-8-23(22)28-29-24/h2-3,5,7-11,13-14,19H,4,6,12,15-17H2,1H3,(H,26,32)(H,28,29)
InChIKeyQMTKKZSNUDKKBB-UHFFFAOYSA-N
XLogP3.70
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45208830
N-(4-pyrazol-1-ylphenyl)-1H-indazole-3-carboxamide
CID 28955856
N-[(1-benzylpiperidin-3-yl)methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562636
9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 70711055
N,N-dimethyl-1-[(6R)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1,4-oxazepan-6-yl]methanamine
CID 95714202
N,N-dimethyl-1-[4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-1,4-oxazepan-6-yl]methanamine
CID 56891183
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
2-cyclopropyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]propanamide
CID 136572601
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
2-[1-(3-methylbut-2-enyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45244168

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide (CID 45190792) is N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide is Cc1cc(-n2cccn2)ccc1CN1CCCC(CNC(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is QMTKKZSNUDKKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-18-14-21(31-13-5-11-27-31)10-9-20(18)17-30-12-4-6-19(16-30)15-26-25(32)24-22-7-2-3-8-23(22)28-29-24/h2-3,5,7-11,13-14,19H,4,6,12,15-17H2,1H3,(H,26,32)(H,28,29).
What are the key properties of N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 45190792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).