N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine

C38H28F6N10O — CID 118095029

IUPACN-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine
SMILESCOc1ccc(Nc2cncc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.Cc1ccc(Nc2cncc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1
InChIInChI=1S/C19H14F3N5O.C19H14F3N5/c1-28-13-7-5-12(6-8-13)24-16-11-23-10-14(25-16)17-15-4-2-3-9-27(15)26-18(17)19(20,21)22;1-12-5-7-13(8-6-12)24-16-11-23-10-14(25-16)17-15-4-2-3-9-27(15)26-18(17)19(20,21)22/h2-11H,1H3,(H,24,25);2-11H,1H3,(H,24,25)
InChIKeyKUQYQIFFRVQGGS-UHFFFAOYSA-N
MW754.70 g/mol
LogP9.42
Rot. Bonds7

About N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine

N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine (PubChem CID 118095029) has the molecular formula C38H28F6N10O and a molecular weight of 754.70 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine
PubChem CID118095029
Molecular FormulaC38H28F6N10O
Molecular Weight754.70 g/mol
Exact Mass754.24
IUPAC NameN-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine
SMILESCOc1ccc(Nc2cncc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.Cc1ccc(Nc2cncc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1
InChIInChI=1S/C19H14F3N5O.C19H14F3N5/c1-28-13-7-5-12(6-8-13)24-16-11-23-10-14(25-16)17-15-4-2-3-9-27(15)26-18(17)19(20,21)22;1-12-5-7-13(8-6-12)24-16-11-23-10-14(25-16)17-15-4-2-3-9-27(15)26-18(17)19(20,21)22/h2-11H,1H3,(H,24,25);2-11H,1H3,(H,24,25)
InChIKeyKUQYQIFFRVQGGS-UHFFFAOYSA-N
XLogP9.42
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.70
LogP ≤ 59.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine (CID 118095029) is N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine is COc1ccc(Nc2cncc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.Cc1ccc(Nc2cncc(-c3c(C(F)(F)F)nn4ccccc34)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine?
The InChIKey is KUQYQIFFRVQGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O.C19H14F3N5/c1-28-13-7-5-12(6-8-13)24-16-11-23-10-14(25-16)17-15-4-2-3-9-27(15)26-18(17)19(20,21)22;1-12-5-7-13(8-6-12)24-16-11-23-10-14(25-16)17-15-4-2-3-9-27(15)26-18(17)19(20,21)22/h2-11H,1H3,(H,24,25);2-11H,1H3,(H,24,25).
What are the key properties of N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine?
N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine has a molecular weight of 754.70 g/mol, XLogP of 9.42, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 118095029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).