N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21ClN4O4 — CID 58056115

IUPACN-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnc2c(C(=O)Nc3cc(Cl)ccc3OC3CCC(O)CC3)cnn2c1
InChIInChI=1S/C20H21ClN4O4/c1-28-15-9-22-19-16(10-23-25(19)11-15)20(27)24-17-8-12(21)2-7-18(17)29-14-5-3-13(26)4-6-14/h2,7-11,13-14,26H,3-6H2,1H3,(H,24,27)
InChIKeyIYNAKMTYIJDWEY-UHFFFAOYSA-N
MW416.87 g/mol
LogP3.33
Rot. Bonds5

About N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056115) has the molecular formula C20H21ClN4O4 and a molecular weight of 416.87 g/mol. Its IUPAC name is N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056115
Molecular FormulaC20H21ClN4O4
Molecular Weight416.87 g/mol
Exact Mass416.13
IUPAC NameN-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnc2c(C(=O)Nc3cc(Cl)ccc3OC3CCC(O)CC3)cnn2c1
InChIInChI=1S/C20H21ClN4O4/c1-28-15-9-22-19-16(10-23-25(19)11-15)20(27)24-17-8-12(21)2-7-18(17)29-14-5-3-13(26)4-6-14/h2,7-11,13-14,26H,3-6H2,1H3,(H,24,27)
InChIKeyIYNAKMTYIJDWEY-UHFFFAOYSA-N
XLogP3.33
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66665387
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-[6-(4-hydroxycyclohexyl)oxy-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284029
N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497038
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclobutylamino)-1-fluoro-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496682
N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157080179
N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664748
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 166209363
ethane;N-(6-methoxy-2-methylindazol-5-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537279
N-[3-(5-chloro-2-methoxyphenyl)-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496856
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056115) is N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cnc2c(C(=O)Nc3cc(Cl)ccc3OC3CCC(O)CC3)cnn2c1.
What is the InChIKey of N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IYNAKMTYIJDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4/c1-28-15-9-22-19-16(10-23-25(19)11-15)20(27)24-17-8-12(21)2-7-18(17)29-14-5-3-13(26)4-6-14/h2,7-11,13-14,26H,3-6H2,1H3,(H,24,27).
What are the key properties of N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]-6-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).