6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol

C17H17F5N6O — CID 137037581

IUPAC6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESN[C@@H]1C(Nc2nc(-c3cnn(C(F)F)c3)c3c(O)[nH]cc3c2F)CCCC1(F)F
InChIInChI=1S/C17H17F5N6O/c18-11-8-5-24-15(29)10(8)12(7-4-25-28(6-7)16(19)20)27-14(11)26-9-2-1-3-17(21,22)13(9)23/h4-6,9,13,16,24,26,29H,1-3,23H2/t9?,13-/m1/s1
InChIKeyXLDMOFIEMYLZNE-WCRCJTMVSA-N
MW416.35 g/mol
LogP3.59
Rot. Bonds4

About 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol

6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137037581) has the molecular formula C17H17F5N6O and a molecular weight of 416.35 g/mol. Its IUPAC name is 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID137037581
Molecular FormulaC17H17F5N6O
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESN[C@@H]1C(Nc2nc(-c3cnn(C(F)F)c3)c3c(O)[nH]cc3c2F)CCCC1(F)F
InChIInChI=1S/C17H17F5N6O/c18-11-8-5-24-15(29)10(8)12(7-4-25-28(6-7)16(19)20)27-14(11)26-9-2-1-3-17(21,22)13(9)23/h4-6,9,13,16,24,26,29H,1-3,23H2/t9?,13-/m1/s1
InChIKeyXLDMOFIEMYLZNE-WCRCJTMVSA-N
XLogP3.59
TPSA104.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-[(2-aminocyclohexyl)amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 123772144
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 132180460
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-3-ol
CID 134532750
(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-hydroxy-2H-pyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
CID 137029877
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137030825
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137030976
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-(3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137032570
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-fluoro-3-methylanilino)-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137036653
2-[(2-aminocyclohexyl)amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137045070
2-(2,6-difluorophenyl)-4-[(1-methylpyrazol-4-yl)amino]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137047083
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137047823
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137052476

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol (CID 137037581) is 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol is N[C@@H]1C(Nc2nc(-c3cnn(C(F)F)c3)c3c(O)[nH]cc3c2F)CCCC1(F)F.
What is the InChIKey of 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is XLDMOFIEMYLZNE-WCRCJTMVSA-N. The full InChI is InChI=1S/C17H17F5N6O/c18-11-8-5-24-15(29)10(8)12(7-4-25-28(6-7)16(19)20)27-14(11)26-9-2-1-3-17(21,22)13(9)23/h4-6,9,13,16,24,26,29H,1-3,23H2/t9?,13-/m1/s1.
What are the key properties of 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol?
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 416.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137037581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).