N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C26H27BrN4O2 — CID 73352441

IUPACN-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCc2c(c(-c3ccccc3)nn2C(=O)C2CCCCC2)C1
InChIInChI=1S/C26H27BrN4O2/c27-20-11-13-21(14-12-20)28-26(33)30-16-15-23-22(17-30)24(18-7-3-1-4-8-18)29-31(23)25(32)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-17H2,(H,28,33)
InChIKeyXPESARLRXKOLEZ-UHFFFAOYSA-N
MW507.43 g/mol
LogP6.12
Rot. Bonds3

About N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 73352441) has the molecular formula C26H27BrN4O2 and a molecular weight of 507.43 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID73352441
Molecular FormulaC26H27BrN4O2
Molecular Weight507.43 g/mol
Exact Mass506.13
IUPAC NameN-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCc2c(c(-c3ccccc3)nn2C(=O)C2CCCCC2)C1
InChIInChI=1S/C26H27BrN4O2/c27-20-11-13-21(14-12-20)28-26(33)30-16-15-23-22(17-30)24(18-7-3-1-4-8-18)29-31(23)25(32)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-17H2,(H,28,33)
InChIKeyXPESARLRXKOLEZ-UHFFFAOYSA-N
XLogP6.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.43
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
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(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
3-[(N-acetylanilino)methyl]-N-(4-bromophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 50834906
N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 127145539
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
1-[[1-(4-iodophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 146000821
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-N,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 146000820
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 73352441) is N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCc2c(c(-c3ccccc3)nn2C(=O)C2CCCCC2)C1.
What is the InChIKey of N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is XPESARLRXKOLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O2/c27-20-11-13-21(14-12-20)28-26(33)30-16-15-23-22(17-30)24(18-7-3-1-4-8-18)29-31(23)25(32)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-17H2,(H,28,33).
What are the key properties of N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 507.43 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(cyclohexanecarbonyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 73352441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).