pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone

C20H24N6O — CID 70756693

IUPACpyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1CCC(c2nnc3n2CCCCC3)CC1
InChIInChI=1S/C20H24N6O/c27-20(16-14-21-26-11-5-3-6-17(16)26)24-12-8-15(9-13-24)19-23-22-18-7-2-1-4-10-25(18)19/h3,5-6,11,14-15H,1-2,4,7-10,12-13H2
InChIKeyPPFXQCOOEOCOFZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.67
Rot. Bonds2

About pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone

pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone (PubChem CID 70756693) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
PubChem CID70756693
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Namepyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1CCC(c2nnc3n2CCCCC3)CC1
InChIInChI=1S/C20H24N6O/c27-20(16-14-21-26-11-5-3-6-17(16)26)24-12-8-15(9-13-24)19-23-22-18-7-2-1-4-10-25(18)19/h3,5-6,11,14-15H,1-2,4,7-10,12-13H2
InChIKeyPPFXQCOOEOCOFZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 72922602
2-cyclopropyl-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 70786368
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849
5,6-dimethyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70711804
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 72932343
(4-methoxyphenyl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 92595107
2-phenyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 110235638
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
(2-fluorophenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 75870704
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 157013026
1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-one
CID 103118159
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
CID 119414481

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone (CID 70756693) is pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone is O=C(c1cnn2ccccc12)N1CCC(c2nnc3n2CCCCC3)CC1.
What is the InChIKey of pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
The InChIKey is PPFXQCOOEOCOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(16-14-21-26-11-5-3-6-17(16)26)24-12-8-15(9-13-24)19-23-22-18-7-2-1-4-10-25(18)19/h3,5-6,11,14-15H,1-2,4,7-10,12-13H2.
What are the key properties of pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone?
pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyridin-3-yl-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70756693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).