1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C15H14N4O — CID 139328420

IUPAC1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H14N4O/c20-15(14-7-10-3-1-2-4-12(10)17-14)19-6-5-13-11(9-19)8-16-18-13/h1-4,7-8,17H,5-6,9H2,(H,16,18)
InChIKeyYIJBVDBRPCLLEW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.09
Rot. Bonds1

About 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 139328420) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID139328420
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H14N4O/c20-15(14-7-10-3-1-2-4-12(10)17-14)19-6-5-13-11(9-19)8-16-18-13/h1-4,7-8,17H,5-6,9H2,(H,16,18)
InChIKeyYIJBVDBRPCLLEW-UHFFFAOYSA-N
XLogP2.09
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 155092510
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 86859664
(3-cyclopentyloxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 142576904
1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146783417
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576967
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
N-cyclohexyl-5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576774
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576721
[3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576753

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 139328420) is 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is YIJBVDBRPCLLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(14-7-10-3-1-2-4-12(10)17-14)19-6-5-13-11(9-19)8-16-18-13/h1-4,7-8,17H,5-6,9H2,(H,16,18).
What are the key properties of 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 139328420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).