(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone

C16H16BrN3O — CID 171133072

IUPAC(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1nn2c(c1Br)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C16H16BrN3O/c17-14-13-7-3-4-9-20(13)18-15(14)16(21)19-10-8-11-5-1-2-6-12(11)19/h1-2,5-6H,3-4,7-10H2
InChIKeyKSKWEIZBJDQOGE-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.18
Rot. Bonds1

About (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone

(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 171133072) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID171133072
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1nn2c(c1Br)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C16H16BrN3O/c17-14-13-7-3-4-9-20(13)18-15(14)16(21)19-10-8-11-5-1-2-6-12(11)19/h1-2,5-6H,3-4,7-10H2
InChIKeyKSKWEIZBJDQOGE-UHFFFAOYSA-N
XLogP3.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701
(4-bromo-2-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031391
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 20912094
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1101598
4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one
CID 110702568
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone (CID 171133072) is (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1nn2c(c1Br)CCCC2)N1CCc2ccccc21.
What is the InChIKey of (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is KSKWEIZBJDQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-14-13-7-3-4-9-20(13)18-15(14)16(21)19-10-8-11-5-1-2-6-12(11)19/h1-2,5-6H,3-4,7-10H2.
What are the key properties of (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone?
(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 346.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 171133072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).