N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23FN6O4 — CID 70497123

IUPACN-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C23H23FN6O4/c1-33-19-4-3-15(24)11-16(19)20-18(13-29(28-20)14-23(32)5-9-34-10-6-23)27-22(31)17-12-26-30-8-2-7-25-21(17)30/h2-4,7-8,11-13,32H,5-6,9-10,14H2,1H3,(H,27,31)
InChIKeySZOIUXXJQSKBJX-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.53
Rot. Bonds6

About N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497123) has the molecular formula C23H23FN6O4 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497123
Molecular FormulaC23H23FN6O4
Molecular Weight466.47 g/mol
Exact Mass466.18
IUPAC NameN-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C23H23FN6O4/c1-33-19-4-3-15(24)11-16(19)20-18(13-29(28-20)14-23(32)5-9-34-10-6-23)27-22(31)17-12-26-30-8-2-7-25-21(17)30/h2-4,7-8,11-13,32H,5-6,9-10,14H2,1H3,(H,27,31)
InChIKeySZOIUXXJQSKBJX-UHFFFAOYSA-N
XLogP2.53
TPSA115.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497123) is N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SZOIUXXJQSKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O4/c1-33-19-4-3-15(24)11-16(19)20-18(13-29(28-20)14-23(32)5-9-34-10-6-23)27-22(31)17-12-26-30-8-2-7-25-21(17)30/h2-4,7-8,11-13,32H,5-6,9-10,14H2,1H3,(H,27,31).
What are the key properties of N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-2-methoxyphenyl)-1-[(4-hydroxyoxan-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).