N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide

C24H17ClN6O3 — CID 142699472

IUPACN-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2nc3c(-c4cccc(Cl)c4)n[nH]c3c(=O)n2NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H17ClN6O3/c1-34-18-9-3-6-15(12-18)22-27-20-19(14-5-2-8-17(25)11-14)28-29-21(20)24(33)31(22)30-23(32)16-7-4-10-26-13-16/h2-13H,1H3,(H,28,29)(H,30,32)
InChIKeyIPKFRORZBZVGTL-UHFFFAOYSA-N
MW472.89 g/mol
LogP3.89
Rot. Bonds5

About N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide

N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide (PubChem CID 142699472) has the molecular formula C24H17ClN6O3 and a molecular weight of 472.89 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide
PubChem CID142699472
Molecular FormulaC24H17ClN6O3
Molecular Weight472.89 g/mol
Exact Mass472.11
IUPAC NameN-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide
SMILESCOc1cccc(-c2nc3c(-c4cccc(Cl)c4)n[nH]c3c(=O)n2NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H17ClN6O3/c1-34-18-9-3-6-15(12-18)22-27-20-19(14-5-2-8-17(25)11-14)28-29-21(20)24(33)31(22)30-23(32)16-7-4-10-26-13-16/h2-13H,1H3,(H,28,29)(H,30,32)
InChIKeyIPKFRORZBZVGTL-UHFFFAOYSA-N
XLogP3.89
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.89
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide (CID 142699472) is N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide is COc1cccc(-c2nc3c(-c4cccc(Cl)c4)n[nH]c3c(=O)n2NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide?
The InChIKey is IPKFRORZBZVGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O3/c1-34-18-9-3-6-15(12-18)22-27-20-19(14-5-2-8-17(25)11-14)28-29-21(20)24(33)31(22)30-23(32)16-7-4-10-26-13-16/h2-13H,1H3,(H,28,29)(H,30,32).
What are the key properties of N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide?
N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide has a molecular weight of 472.89 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142699472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).