[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C25H27N7O2 — CID 154833498

IUPAC[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC(c3nnc4ccccn34)CC2)C1
InChIInChI=1S/C25H27N7O2/c33-24(18-6-7-21-20(14-18)15-26-27-21)31-10-3-4-19(16-31)25(34)30-12-8-17(9-13-30)23-29-28-22-5-1-2-11-32(22)23/h1-2,5-7,11,14-15,17,19H,3-4,8-10,12-13,16H2,(H,26,27)
InChIKeyTVATXTBEOIVNRO-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.86
Rot. Bonds3

About [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 154833498) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID154833498
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC(c3nnc4ccccn34)CC2)C1
InChIInChI=1S/C25H27N7O2/c33-24(18-6-7-21-20(14-18)15-26-27-21)31-10-3-4-19(16-31)25(34)30-12-8-17(9-13-30)23-29-28-22-5-1-2-11-32(22)23/h1-2,5-7,11,14-15,17,19H,3-4,8-10,12-13,16H2,(H,26,27)
InChIKeyTVATXTBEOIVNRO-UHFFFAOYSA-N
XLogP2.86
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 94111010
(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692
[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 93084212
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
N-[2-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 87034364
(3-aminophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119837128
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylmethanone
CID 154839752
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 167885425
2,3-dihydro-1-benzofuran-5-yl-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 47024138
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
2-[2-ethoxy-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 46612910

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 154833498) is [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC(c3nnc4ccccn34)CC2)C1.
What is the InChIKey of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is TVATXTBEOIVNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c33-24(18-6-7-21-20(14-18)15-26-27-21)31-10-3-4-19(16-31)25(34)30-12-8-17(9-13-30)23-29-28-22-5-1-2-11-32(22)23/h1-2,5-7,11,14-15,17,19H,3-4,8-10,12-13,16H2,(H,26,27).
What are the key properties of [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 457.54 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154833498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).