1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

C19H23N5O — CID 95337039

IUPAC1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C19H23N5O/c1-13(2)18-20-9-11-24(18)14-6-5-10-23(12-14)19(25)17-15-7-3-4-8-16(15)21-22-17/h3-4,7-9,11,13-14H,5-6,10,12H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyDTSFVCHVNDRFDA-CQSZACIVSA-N
MW337.43 g/mol
LogP3.36
Rot. Bonds3

About 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone

1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95337039) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95337039
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C19H23N5O/c1-13(2)18-20-9-11-24(18)14-6-5-10-23(12-14)19(25)17-15-7-3-4-8-16(15)21-22-17/h3-4,7-9,11,13-14H,5-6,10,12H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyDTSFVCHVNDRFDA-CQSZACIVSA-N
XLogP3.36
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95343896
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95737303
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
2-methyl-6-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 95736313
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone (CID 95337039) is 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is DTSFVCHVNDRFDA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)18-20-9-11-24(18)14-6-5-10-23(12-14)19(25)17-15-7-3-4-8-16(15)21-22-17/h3-4,7-9,11,13-14H,5-6,10,12H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone?
1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95337039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).