3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol

C17H18F4N4O — CID 145146175

IUPAC3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC1(N)CNc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C17H18F4N4O/c1-15(23)8-24-14-11(15)6-12(16(26,7-22)17(19,20)21)25-13(14)9-2-4-10(18)5-3-9/h2-6,24,26H,7-8,22-23H2,1H3
InChIKeyQITJMZGCNWCQDE-UHFFFAOYSA-N
MW370.35 g/mol
LogP2.20
Rot. Bonds3

About 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol

3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 145146175) has the molecular formula C17H18F4N4O and a molecular weight of 370.35 g/mol. Its IUPAC name is 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID145146175
Molecular FormulaC17H18F4N4O
Molecular Weight370.35 g/mol
Exact Mass370.14
IUPAC Name3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC1(N)CNc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C17H18F4N4O/c1-15(23)8-24-14-11(15)6-12(16(26,7-22)17(19,20)21)25-13(14)9-2-4-10(18)5-3-9/h2-6,24,26H,7-8,22-23H2,1H3
InChIKeyQITJMZGCNWCQDE-UHFFFAOYSA-N
XLogP2.20
TPSA97.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

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CID 154722174
1,1,1-trifluoro-2-[1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 154722176
2-[1,1-bis(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 154722292
2-[5-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 13371344
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[[5-(propylaminomethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]methyl]pentan-2-ol
CID 69760244
3-Amino-2-[6-(3-chloro-4-fluorophenyl)-4-[2-(2-fluoroethylamino)propan-2-yl]pyridin-2-yl]-1,1,1-trifluoropropan-2-ol
CID 117924594
tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)pyridin-4-yl]propan-2-yl]carbamate
CID 117924664
1-Amino-2-[6-(3-chloro-4-fluorophenyl)-4-[2-(2-fluoroethylamino)propan-2-yl]-2-pyridinyl]propan-2-ol
CID 117933353
1-[4-(3-Chloro-4-fluorophenyl)-1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridin-6-yl]ethanol
CID 117933488
tert-butyl N-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate
CID 117933520
1-[4-(3-Chloro-4-fluorophenyl)-1,1-dimethyl-2,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-2,2,2-trifluoroethanol
CID 117936935

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (CID 145146175) is 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is CC1(N)CNc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is QITJMZGCNWCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4O/c1-15(23)8-24-14-11(15)6-12(16(26,7-22)17(19,20)21)25-13(14)9-2-4-10(18)5-3-9/h2-6,24,26H,7-8,22-23H2,1H3.
What are the key properties of 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 370.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 145146175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).