1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H18N4OS — CID 124998301

IUPAC1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)s1
InChIInChI=1S/C17H18N4OS/c1-11-9-18-16(23-11)12-5-4-8-21(10-12)17(22)15-13-6-2-3-7-14(13)19-20-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyRGSGJRRBLKPIOE-LBPRGKRZSA-N
MW326.43 g/mol
LogP3.35
Rot. Bonds2

About 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124998301) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID124998301
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)s1
InChIInChI=1S/C17H18N4OS/c1-11-9-18-16(23-11)12-5-4-8-21(10-12)17(22)15-13-6-2-3-7-14(13)19-20-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyRGSGJRRBLKPIOE-LBPRGKRZSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 94177443
6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125021912
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
(5-tert-butyl-1H-pyrazol-3-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124946318
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95737303
4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124994289
1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 124998301) is 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cnc([C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)s1.
What is the InChIKey of 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RGSGJRRBLKPIOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-9-18-16(23-11)12-5-4-8-21(10-12)17(22)15-13-6-2-3-7-14(13)19-20-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 326.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124998301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).