6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine

C38H31F3N10O2 — CID 159585785

IUPAC6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cn3nc(N)c(-c4ccccn4)c3nc2C(F)(F)F)cc1.COc1ccc(-c2cn3nc(N)c(-c4ccccn4)c3nc2C)cc1
InChIInChI=1S/C19H14F3N5O.C19H17N5O/c1-28-12-7-5-11(6-8-12)13-10-27-18(25-16(13)19(20,21)22)15(17(23)26-27)14-4-2-3-9-24-14;1-12-15(13-6-8-14(25-2)9-7-13)11-24-19(22-12)17(18(20)23-24)16-5-3-4-10-21-16/h2-10H,1H3,(H2,23,26);3-11H,1-2H3,(H2,20,23)
InChIKeyMJPDDIGRHQQDMJ-UHFFFAOYSA-N
MW716.73 g/mol
LogP7.43
Rot. Bonds6

About 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine

6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 159585785) has the molecular formula C38H31F3N10O2 and a molecular weight of 716.73 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID159585785
Molecular FormulaC38H31F3N10O2
Molecular Weight716.73 g/mol
Exact Mass716.26
IUPAC Name6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cn3nc(N)c(-c4ccccn4)c3nc2C(F)(F)F)cc1.COc1ccc(-c2cn3nc(N)c(-c4ccccn4)c3nc2C)cc1
InChIInChI=1S/C19H14F3N5O.C19H17N5O/c1-28-12-7-5-11(6-8-12)13-10-27-18(25-16(13)19(20,21)22)15(17(23)26-27)14-4-2-3-9-24-14;1-12-15(13-6-8-14(25-2)9-7-13)11-24-19(22-12)17(18(20)23-24)16-5-3-4-10-21-16/h2-10H,1H3,(H2,23,26);3-11H,1-2H3,(H2,20,23)
InChIKeyMJPDDIGRHQQDMJ-UHFFFAOYSA-N
XLogP7.43
TPSA156.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500716.73
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
ML347
CID 44577753
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 159585785) is 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine is COc1ccc(-c2cn3nc(N)c(-c4ccccn4)c3nc2C(F)(F)F)cc1.COc1ccc(-c2cn3nc(N)c(-c4ccccn4)c3nc2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is MJPDDIGRHQQDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O.C19H17N5O/c1-28-12-7-5-11(6-8-12)13-10-27-18(25-16(13)19(20,21)22)15(17(23)26-27)14-4-2-3-9-24-14;1-12-15(13-6-8-14(25-2)9-7-13)11-24-19(22-12)17(18(20)23-24)16-5-3-4-10-21-16/h2-10H,1H3,(H2,23,26);3-11H,1-2H3,(H2,20,23).
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine?
6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 716.73 g/mol, XLogP of 7.43, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-2-amine;6-(4-methoxyphenyl)-3-pyridin-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 159585785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).