N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine

C25H29F4N5O2 — CID 138715523

IUPACN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(C1CCCOC1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H29F4N5O2/c1-2-30-21-12-20-18(13-32-21)23(15-4-3-11-35-14-15)33-34(20)16-5-7-17(8-6-16)36-24-22(26)19(9-10-31-24)25(27,28)29/h9-10,12-13,15-17H,2-8,11,14H2,1H3,(H,30,32)
InChIKeySMLVCIAXXCMDJH-UHFFFAOYSA-N
MW507.53 g/mol
LogP5.87
Rot. Bonds6

About N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715523) has the molecular formula C25H29F4N5O2 and a molecular weight of 507.53 g/mol. Its IUPAC name is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715523
Molecular FormulaC25H29F4N5O2
Molecular Weight507.53 g/mol
Exact Mass507.23
IUPAC NameN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(C1CCCOC1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H29F4N5O2/c1-2-30-21-12-20-18(13-32-21)23(15-4-3-11-35-14-15)33-34(20)16-5-7-17(8-6-16)36-24-22(26)19(9-10-31-24)25(27,28)29/h9-10,12-13,15-17H,2-8,11,14H2,1H3,(H,30,32)
InChIKeySMLVCIAXXCMDJH-UHFFFAOYSA-N
XLogP5.87
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715523) is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(C1CCCOC1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is SMLVCIAXXCMDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F4N5O2/c1-2-30-21-12-20-18(13-32-21)23(15-4-3-11-35-14-15)33-34(20)16-5-7-17(8-6-16)36-24-22(26)19(9-10-31-24)25(27,28)29/h9-10,12-13,15-17H,2-8,11,14H2,1H3,(H,30,32).
What are the key properties of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 507.53 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(oxan-3-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).