7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

C24H21FN6O — CID 59026318

IUPAC7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C)nc3c(-c4cnc(-n5cccn5)cc4C)c(C)nn23)c1F
InChIInChI=1S/C24H21FN6O/c1-14-11-21(30-10-6-9-27-30)26-13-18(14)22-16(3)29-31-19(12-15(2)28-24(22)31)17-7-5-8-20(32-4)23(17)25/h5-13H,1-4H3
InChIKeyAXBUCVJRLNZSBM-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.72
Rot. Bonds4

About 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 59026318) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID59026318
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C)nc3c(-c4cnc(-n5cccn5)cc4C)c(C)nn23)c1F
InChIInChI=1S/C24H21FN6O/c1-14-11-21(30-10-6-9-27-30)26-13-18(14)22-16(3)29-31-19(12-15(2)28-24(22)31)17-7-5-8-20(32-4)23(17)25/h5-13H,1-4H3
InChIKeyAXBUCVJRLNZSBM-UHFFFAOYSA-N
XLogP4.72
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 59026318) is 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is COc1cccc(-c2cc(C)nc3c(-c4cnc(-n5cccn5)cc4C)c(C)nn23)c1F.
What is the InChIKey of 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AXBUCVJRLNZSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-14-11-21(30-10-6-9-27-30)26-13-18(14)22-16(3)29-31-19(12-15(2)28-24(22)31)17-7-5-8-20(32-4)23(17)25/h5-13H,1-4H3.
What are the key properties of 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 428.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-3-(4-methyl-6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59026318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).