3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one

C20H25N5O — CID 125020977

IUPAC3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1C[C@H]1CCCN(C(=O)CCn2ncc3ccccc32)C1
InChIInChI=1S/C20H25N5O/c1-15-12-21-23-18(15)11-16-5-4-9-24(14-16)20(26)8-10-25-19-7-3-2-6-17(19)13-22-25/h2-3,6-7,12-13,16H,4-5,8-11,14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyYGOVDWCMMHZPKF-MRXNPFEDSA-N
MW351.45 g/mol
LogP2.94
Rot. Bonds5

About 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one

3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 125020977) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID125020977
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1C[C@H]1CCCN(C(=O)CCn2ncc3ccccc32)C1
InChIInChI=1S/C20H25N5O/c1-15-12-21-23-18(15)11-16-5-4-9-24(14-16)20(26)8-10-25-19-7-3-2-6-17(19)13-22-25/h2-3,6-7,12-13,16H,4-5,8-11,14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyYGOVDWCMMHZPKF-MRXNPFEDSA-N
XLogP2.94
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

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1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
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isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
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2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
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4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one (CID 125020977) is 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one is Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCn2ncc3ccccc32)C1.
What is the InChIKey of 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is YGOVDWCMMHZPKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-12-21-23-18(15)11-16-5-4-9-24(14-16)20(26)8-10-25-19-7-3-2-6-17(19)13-22-25/h2-3,6-7,12-13,16H,4-5,8-11,14H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 351.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 125020977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).