N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

C23H25F3N8O — CID 138715133

IUPACN-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nnccc2C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N8O/c1-3-27-20-10-19-17(12-28-20)21(14-11-30-33(2)13-14)32-34(19)15-4-6-16(7-5-15)35-22-18(23(24,25)26)8-9-29-31-22/h8-13,15-16H,3-7H2,1-2H3,(H,27,28)
InChIKeyOOKUDGPQVOVZTN-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.64
Rot. Bonds6

About N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715133) has the molecular formula C23H25F3N8O and a molecular weight of 486.50 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715133
Molecular FormulaC23H25F3N8O
Molecular Weight486.50 g/mol
Exact Mass486.21
IUPAC NameN-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nnccc2C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N8O/c1-3-27-20-10-19-17(12-28-20)21(14-11-30-33(2)13-14)32-34(19)15-4-6-16(7-5-15)35-22-18(23(24,25)26)8-9-29-31-22/h8-13,15-16H,3-7H2,1-2H3,(H,27,28)
InChIKeyOOKUDGPQVOVZTN-UHFFFAOYSA-N
XLogP4.64
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715133) is N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nnccc2C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is OOKUDGPQVOVZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N8O/c1-3-27-20-10-19-17(12-28-20)21(14-11-30-33(2)13-14)32-34(19)15-4-6-16(7-5-15)35-22-18(23(24,25)26)8-9-29-31-22/h8-13,15-16H,3-7H2,1-2H3,(H,27,28).
What are the key properties of N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 486.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylpyrazol-4-yl)-1-[4-[4-(trifluoromethyl)pyridazin-3-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).