4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

C20H26F2N6O2 — CID 155178650

IUPAC4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESCOC[C@H](C)Nc1ncc2c(-c3cnn(C(F)F)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/C20H26F2N6O2/c1-12(11-30-2)25-20-23-9-18-16(14-8-24-27(10-14)19(21)22)7-17(28(18)26-20)13-3-5-15(29)6-4-13/h7-10,12-13,15,19,29H,3-6,11H2,1-2H3,(H,25,26)/t12-,13?,15?/m0/s1
InChIKeyDYMKVJOAVZJEOU-OPFPJEHXSA-N
MW420.46 g/mol
LogP3.45
Rot. Bonds7

About 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (PubChem CID 155178650) has the molecular formula C20H26F2N6O2 and a molecular weight of 420.46 g/mol. Its IUPAC name is 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
PubChem CID155178650
Molecular FormulaC20H26F2N6O2
Molecular Weight420.46 g/mol
Exact Mass420.21
IUPAC Name4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESCOC[C@H](C)Nc1ncc2c(-c3cnn(C(F)F)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/C20H26F2N6O2/c1-12(11-30-2)25-20-23-9-18-16(14-8-24-27(10-14)19(21)22)7-17(28(18)26-20)13-3-5-15(29)6-4-13/h7-10,12-13,15,19,29H,3-6,11H2,1-2H3,(H,25,26)/t12-,13?,15?/m0/s1
InChIKeyDYMKVJOAVZJEOU-OPFPJEHXSA-N
XLogP3.45
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (CID 155178650) is 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is COC[C@H](C)Nc1ncc2c(-c3cnn(C(F)F)c3)cc(C3CCC(O)CC3)n2n1.
What is the InChIKey of 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The InChIKey is DYMKVJOAVZJEOU-OPFPJEHXSA-N. The full InChI is InChI=1S/C20H26F2N6O2/c1-12(11-30-2)25-20-23-9-18-16(14-8-24-27(10-14)19(21)22)7-17(28(18)26-20)13-3-5-15(29)6-4-13/h7-10,12-13,15,19,29H,3-6,11H2,1-2H3,(H,25,26)/t12-,13?,15?/m0/s1.
What are the key properties of 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol has a molecular weight of 420.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 155178650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).