[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

C18H21N5O — CID 95737303

IUPAC[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCc1cc(C)n([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C18H21N5O/c1-12-10-13(2)23(21-12)14-6-5-9-22(11-14)18(24)17-15-7-3-4-8-16(15)19-20-17/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyCIHXMURJWFVGEN-CQSZACIVSA-N
MW323.40 g/mol
LogP2.85
Rot. Bonds2

About [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone

[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 95737303) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID95737303
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCc1cc(C)n([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C18H21N5O/c1-12-10-13(2)23(21-12)14-6-5-9-22(11-14)18(24)17-15-7-3-4-8-16(15)19-20-17/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyCIHXMURJWFVGEN-CQSZACIVSA-N
XLogP2.85
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95337039
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95354154
1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124998301

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 95737303) is [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is Cc1cc(C)n([C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)n1.
What is the InChIKey of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is CIHXMURJWFVGEN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-13(2)23(21-12)14-6-5-9-22(11-14)18(24)17-15-7-3-4-8-16(15)19-20-17/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 95737303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).