4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H20BrN5O2 — CID 146994305

IUPAC4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cccc(Br)c12
InChIInChI=1S/C22H20BrN5O2/c23-18-6-3-11-28-20(18)17(12-24-28)21(29)25-14-9-7-13(8-10-14)19-15-4-1-2-5-16(15)22(30)27-26-19/h1-6,11-14H,7-10H2,(H,25,29)(H,27,30)
InChIKeyAQUAPLZCKRVHCO-UHFFFAOYSA-N
MW466.34 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide

4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 146994305) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID146994305
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC Name4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cccc(Br)c12
InChIInChI=1S/C22H20BrN5O2/c23-18-6-3-11-28-20(18)17(12-24-28)21(29)25-14-9-7-13(8-10-14)19-15-4-1-2-5-16(15)22(30)27-26-19/h1-6,11-14H,7-10H2,(H,25,29)(H,27,30)
InChIKeyAQUAPLZCKRVHCO-UHFFFAOYSA-N
XLogP3.79
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
2-(4-Bromo-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 13093669
4-(Benzylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291866
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188588
2,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188589
US10889564, Example 37
CID 129104746
6-bromo-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-4-quinolinecarboxamide
CID 995077
2-(4-bromophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-quinolinecarboxamide
CID 2220713
N-(4-ethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 6622623
4-(2-Methylpropylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 155514311
5-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]pyridine-2-carboxamide
CID 155515456
4-(3-Methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 155534808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 146994305) is 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)c1cnn2cccc(Br)c12.
What is the InChIKey of 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AQUAPLZCKRVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c23-18-6-3-11-28-20(18)17(12-24-28)21(29)25-14-9-7-13(8-10-14)19-15-4-1-2-5-16(15)22(30)27-26-19/h1-6,11-14H,7-10H2,(H,25,29)(H,27,30).
What are the key properties of 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 466.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 146994305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).