5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C13H13BrF2N4 — CID 166379752

IUPAC5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCn1ncc2c1CCN(c1nc(Br)ccc1C(F)F)C2
InChIInChI=1S/C13H13BrF2N4/c1-19-10-4-5-20(7-8(10)6-17-19)13-9(12(15)16)2-3-11(14)18-13/h2-3,6,12H,4-5,7H2,1H3
InChIKeyNDEPBBDIWKIICY-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.08
Rot. Bonds2

About 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 166379752) has the molecular formula C13H13BrF2N4 and a molecular weight of 343.18 g/mol. Its IUPAC name is 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID166379752
Molecular FormulaC13H13BrF2N4
Molecular Weight343.18 g/mol
Exact Mass342.03
IUPAC Name5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCn1ncc2c1CCN(c1nc(Br)ccc1C(F)F)C2
InChIInChI=1S/C13H13BrF2N4/c1-19-10-4-5-20(7-8(10)6-17-19)13-9(12(15)16)2-3-11(14)18-13/h2-3,6,12H,4-5,7H2,1H3
InChIKeyNDEPBBDIWKIICY-UHFFFAOYSA-N
XLogP3.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-amine
CID 145320207
1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
(3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
CID 168976925
5-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167780587
5-bromo-7-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine
CID 121228944
1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 86238304
4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
CID 139310671
5-N-[[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-pyridinyl]methyl]isoquinoline-1,5-diamine
CID 171362732
1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
CID 130250704
6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine
CID 130095142
5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine
CID 135392135
(4-methylphenyl)-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)methanone
CID 95857705

Frequently Asked Questions

What is the IUPAC name of 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 166379752) is 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is Cn1ncc2c1CCN(c1nc(Br)ccc1C(F)F)C2.
What is the InChIKey of 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is NDEPBBDIWKIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N4/c1-19-10-4-5-20(7-8(10)6-17-19)13-9(12(15)16)2-3-11(14)18-13/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 343.18 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-bromo-3-(difluoromethyl)-2-pyridinyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 166379752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).