4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol

C21H23F2N7O2 — CID 170657388

IUPAC4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2nc(OCC(F)F)c3c(-c4ccc5ncnn5c4)ccn3n2)CC1
InChIInChI=1S/C21H23F2N7O2/c1-21(31)7-4-14(5-8-21)26-20-27-19(32-11-16(22)23)18-15(6-9-29(18)28-20)13-2-3-17-24-12-25-30(17)10-13/h2-3,6,9-10,12,14,16,31H,4-5,7-8,11H2,1H3,(H,26,28)
InChIKeyWFIASNVNKYVDPU-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.19
Rot. Bonds6

About 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol

4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol (PubChem CID 170657388) has the molecular formula C21H23F2N7O2 and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
PubChem CID170657388
Molecular FormulaC21H23F2N7O2
Molecular Weight443.46 g/mol
Exact Mass443.19
IUPAC Name4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2nc(OCC(F)F)c3c(-c4ccc5ncnn5c4)ccn3n2)CC1
InChIInChI=1S/C21H23F2N7O2/c1-21(31)7-4-14(5-8-21)26-20-27-19(32-11-16(22)23)18-15(6-9-29(18)28-20)13-2-3-17-24-12-25-30(17)10-13/h2-3,6,9-10,12,14,16,31H,4-5,7-8,11H2,1H3,(H,26,28)
InChIKeyWFIASNVNKYVDPU-UHFFFAOYSA-N
XLogP3.19
TPSA101.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol (CID 170657388) is 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol is CC1(O)CCC(Nc2nc(OCC(F)F)c3c(-c4ccc5ncnn5c4)ccn3n2)CC1.
What is the InChIKey of 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is WFIASNVNKYVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N7O2/c1-21(31)7-4-14(5-8-21)26-20-27-19(32-11-16(22)23)18-15(6-9-29(18)28-20)13-2-3-17-24-12-25-30(17)10-13/h2-3,6,9-10,12,14,16,31H,4-5,7-8,11H2,1H3,(H,26,28).
What are the key properties of 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol?
4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 443.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2-difluoroethoxy)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 170657388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).