[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone

C16H17N5O — CID 95313752

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C16H17N5O/c22-16(15-13-5-1-2-6-14(13)18-19-15)20-8-3-4-12(10-20)21-9-7-17-11-21/h1-2,5-7,9,11-12H,3-4,8,10H2,(H,18,19)/t12-/m0/s1
InChIKeyCVZANAAVMQZJDP-LBPRGKRZSA-N
MW295.35 g/mol
LogP2.24
Rot. Bonds2

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 95313752) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID95313752
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C16H17N5O/c22-16(15-13-5-1-2-6-14(13)18-19-15)20-8-3-4-12(10-20)21-9-7-17-11-21/h1-2,5-7,9,11-12H,3-4,8,10H2,(H,18,19)/t12-/m0/s1
InChIKeyCVZANAAVMQZJDP-LBPRGKRZSA-N
XLogP2.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
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1H-indazol-3-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
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[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
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1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
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7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
imidazol-1-yl(1H-indazol-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 95313752) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is CVZANAAVMQZJDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N5O/c22-16(15-13-5-1-2-6-14(13)18-19-15)20-8-3-4-12(10-20)21-9-7-17-11-21/h1-2,5-7,9,11-12H,3-4,8,10H2,(H,18,19)/t12-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 295.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 95313752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).