1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine

C26H26F3N5O2 — CID 67477365

IUPAC1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(Cn2nc(-c3cc(C(F)(F)F)ccn3)c3c(NC4CCOCC4)nc(C)cc32)cc1
InChIInChI=1S/C26H26F3N5O2/c1-16-13-22-23(25(31-16)32-19-8-11-36-12-9-19)24(21-14-18(7-10-30-21)26(27,28)29)33-34(22)15-17-3-5-20(35-2)6-4-17/h3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,31,32)
InChIKeyHCGRJLPRIPXPQS-UHFFFAOYSA-N
MW497.52 g/mol
LogP5.47
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine

1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 67477365) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID67477365
Molecular FormulaC26H26F3N5O2
Molecular Weight497.52 g/mol
Exact Mass497.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(Cn2nc(-c3cc(C(F)(F)F)ccn3)c3c(NC4CCOCC4)nc(C)cc32)cc1
InChIInChI=1S/C26H26F3N5O2/c1-16-13-22-23(25(31-16)32-19-8-11-36-12-9-19)24(21-14-18(7-10-30-21)26(27,28)29)33-34(22)15-17-3-5-20(35-2)6-4-17/h3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,31,32)
InChIKeyHCGRJLPRIPXPQS-UHFFFAOYSA-N
XLogP5.47
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine (CID 67477365) is 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine is COc1ccc(Cn2nc(-c3cc(C(F)(F)F)ccn3)c3c(NC4CCOCC4)nc(C)cc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is HCGRJLPRIPXPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c1-16-13-22-23(25(31-16)32-19-8-11-36-12-9-19)24(21-14-18(7-10-30-21)26(27,28)29)33-34(22)15-17-3-5-20(35-2)6-4-17/h3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,31,32).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine?
1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 497.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 67477365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).