N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C22H21FN4O2 — CID 1441069

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(C)nc3cc(-c4cccc(F)c4)nn23)cc1OC
InChIInChI=1S/C22H21FN4O2/c1-14-9-21(24-13-15-7-8-19(28-2)20(10-15)29-3)27-22(25-14)12-18(26-27)16-5-4-6-17(23)11-16/h4-12,24H,13H2,1-3H3
InChIKeyCCJASARAXBROBB-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.47
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1441069) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1441069
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2cc(C)nc3cc(-c4cccc(F)c4)nn23)cc1OC
InChIInChI=1S/C22H21FN4O2/c1-14-9-21(24-13-15-7-8-19(28-2)20(10-15)29-3)27-22(25-14)12-18(26-27)16-5-4-6-17(23)11-16/h4-12,24H,13H2,1-3H3
InChIKeyCCJASARAXBROBB-UHFFFAOYSA-N
XLogP4.47
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441056
N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 82270770
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752
2-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56678801
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895223
2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3230053
2-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 1441414
2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230144
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229916
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582
(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270287
N-[(3,4-dimethoxyphenyl)methyl]-7-phenoxy-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002403

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1441069) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CNc2cc(C)nc3cc(-c4cccc(F)c4)nn23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CCJASARAXBROBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-14-9-21(24-13-15-7-8-19(28-2)20(10-15)29-3)27-22(25-14)12-18(26-27)16-5-4-6-17(23)11-16/h4-12,24H,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 392.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1441069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).