N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H16ClN5O2 — CID 53175328

IUPACN-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n3nc(-c4ccccn4)cc3n2)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-12-9-17(20(27)23-13-6-7-18(28-2)14(21)10-13)24-19-11-16(25-26(12)19)15-5-3-4-8-22-15/h3-11H,1-2H3,(H,23,27)
InChIKeyCSTFWVIYBIMHJL-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.01
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53175328) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53175328
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n3nc(-c4ccccn4)cc3n2)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-12-9-17(20(27)23-13-6-7-18(28-2)14(21)10-13)24-19-11-16(25-26(12)19)15-5-3-4-8-22-15/h3-11H,1-2H3,(H,23,27)
InChIKeyCSTFWVIYBIMHJL-UHFFFAOYSA-N
XLogP4.01
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53175328) is N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cc(C)n3nc(-c4ccccn4)cc3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CSTFWVIYBIMHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-12-9-17(20(27)23-13-6-7-18(28-2)14(21)10-13)24-19-11-16(25-26(12)19)15-5-3-4-8-22-15/h3-11H,1-2H3,(H,23,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53175328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).