N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide

C24H18N6O2 — CID 127036925

IUPACN-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccncc3)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C24H18N6O2/c1-32-19-9-7-16(8-10-19)22-26-20-15-30(18-5-3-2-4-6-18)29-21(20)23(27-22)28-24(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,26,27,28,31)
InChIKeyMHACINSCPZTLKI-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.14
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide

N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide (PubChem CID 127036925) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide
PubChem CID127036925
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC NameN-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccncc3)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C24H18N6O2/c1-32-19-9-7-16(8-10-19)22-26-20-15-30(18-5-3-2-4-6-18)29-21(20)23(27-22)28-24(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,26,27,28,31)
InChIKeyMHACINSCPZTLKI-UHFFFAOYSA-N
XLogP4.14
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide (CID 127036925) is N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide is COc1ccc(-c2nc(NC(=O)c3ccncc3)c3nn(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide?
The InChIKey is MHACINSCPZTLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c1-32-19-9-7-16(8-10-19)22-26-20-15-30(18-5-3-2-4-6-18)29-21(20)23(27-22)28-24(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,26,27,28,31).
What are the key properties of N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide?
N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 127036925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).