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

C18H18F3N5O — CID 54673401

IUPAC6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc2[nH]nc(-c3cc(C(F)(F)F)ccn3)c2c(NC2CCOCC2)n1
InChIInChI=1S/C18H18F3N5O/c1-10-8-13-15(17(23-10)24-12-3-6-27-7-4-12)16(26-25-13)14-9-11(2-5-22-14)18(19,20)21/h2,5,8-9,12H,3-4,6-7H2,1H3,(H,23,24)(H,25,26)
InChIKeyGEAQZZWVYYEZKE-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.94
Rot. Bonds3

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

6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 54673401) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID54673401
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1cc2[nH]nc(-c3cc(C(F)(F)F)ccn3)c2c(NC2CCOCC2)n1
InChIInChI=1S/C18H18F3N5O/c1-10-8-13-15(17(23-10)24-12-3-6-27-7-4-12)16(26-25-13)14-9-11(2-5-22-14)18(19,20)21/h2,5,8-9,12H,3-4,6-7H2,1H3,(H,23,24)(H,25,26)
InChIKeyGEAQZZWVYYEZKE-UHFFFAOYSA-N
XLogP3.94
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 54673401) is 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine is Cc1cc2[nH]nc(-c3cc(C(F)(F)F)ccn3)c2c(NC2CCOCC2)n1.
What is the InChIKey of 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is GEAQZZWVYYEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-10-8-13-15(17(23-10)24-12-3-6-27-7-4-12)16(26-25-13)14-9-11(2-5-22-14)18(19,20)21/h2,5,8-9,12H,3-4,6-7H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine?
6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 377.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxan-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 54673401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).