N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H22BrN5O2 — CID 53066814

IUPACN-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)Nc1ccccc1Br)C2
InChIInChI=1S/C19H22BrN5O2/c1-23-16-8-11-25(19(27)21-15-7-3-2-6-14(15)20)12-13(16)17(22-23)18(26)24-9-4-5-10-24/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,27)
InChIKeyIENLFQLLVBXFAK-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.01
Rot. Bonds2

About N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53066814) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53066814
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC NameN-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)Nc1ccccc1Br)C2
InChIInChI=1S/C19H22BrN5O2/c1-23-16-8-11-25(19(27)21-15-7-3-2-6-14(15)20)12-13(16)17(22-23)18(26)24-9-4-5-10-24/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,27)
InChIKeyIENLFQLLVBXFAK-UHFFFAOYSA-N
XLogP3.01
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(morpholine-4-carbonyl)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066939
N-(2,5-dimethoxyphenyl)-1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066866
1-methyl-N-(3-methylsulfanylphenyl)-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066842
N-(2-bromophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499343
5-N-(2-methoxyphenyl)-1-methyl-3-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 53066984
1-(5-benzoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 50830869
1-[5-(cyclopropanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 53018193
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
(3S)-1-[5-(2-methoxyacetyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93071525
(3R)-1-[1-methyl-5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95052948
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
N-(3-chloro-4-fluorophenyl)-1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066928

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53066814) is N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)Nc1ccccc1Br)C2.
What is the InChIKey of N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is IENLFQLLVBXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c1-23-16-8-11-25(19(27)21-15-7-3-2-6-14(15)20)12-13(16)17(22-23)18(26)24-9-4-5-10-24/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,27).
What are the key properties of N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53066814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).