1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C16H18N6O — CID 94177443

IUPAC1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H18N6O/c1-21-10-17-20-15(21)11-5-4-8-22(9-11)16(23)14-12-6-2-3-7-13(12)18-19-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeySJAHOPOHVYMUBX-NSHDSACASA-N
MW310.36 g/mol
LogP1.71
Rot. Bonds2

About 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 94177443) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID94177443
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H18N6O/c1-21-10-17-20-15(21)11-5-4-8-22(9-11)16(23)14-12-6-2-3-7-13(12)18-19-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeySJAHOPOHVYMUBX-NSHDSACASA-N
XLogP1.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192626
1H-indazol-3-yl-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124998301
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 124626295
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
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
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 94177443) is 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cn1cnnc1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SJAHOPOHVYMUBX-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-10-17-20-15(21)11-5-4-8-22(9-11)16(23)14-12-6-2-3-7-13(12)18-19-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 94177443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).