3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol

C17H14FN5O — CID 118930200

IUPAC3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol
SMILESCn1cc(-c2cc3cnc(Nc4ccc(O)cc4F)cc3[nH]2)cn1
InChIInChI=1S/C17H14FN5O/c1-23-9-11(8-20-23)15-4-10-7-19-17(6-16(10)21-15)22-14-3-2-12(24)5-13(14)18/h2-9,21,24H,1H3,(H,19,22)
InChIKeyZCPBAKDVPPSFLI-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.55
Rot. Bonds3

About 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol

3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol (PubChem CID 118930200) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol.

Molecular Properties

Compound Name3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol
PubChem CID118930200
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol
SMILESCn1cc(-c2cc3cnc(Nc4ccc(O)cc4F)cc3[nH]2)cn1
InChIInChI=1S/C17H14FN5O/c1-23-9-11(8-20-23)15-4-10-7-19-17(6-16(10)21-15)22-14-3-2-12(24)5-13(14)18/h2-9,21,24H,1H3,(H,19,22)
InChIKeyZCPBAKDVPPSFLI-UHFFFAOYSA-N
XLogP3.55
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548649
N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548108
1-methyl-N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)pyrazole-4-carboxamide
CID 169097850
6-[(1-methylpyrazol-4-yl)amino]-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
CID 164564729
N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634528
2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol
CID 156727141
2-[2-(1-methylpyrazol-4-yl)-1H-indol-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387808
2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 170305718
N-(2-chloro-4-methylsulfonylphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548462
N-[2-(2,6-difluoro-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097673
1-methyl-N-[2-[2-(1,2,2-trifluoroethoxy)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
CID 175479516
N-phenyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 169097748

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
The IUPAC name of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol (CID 118930200) is 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol.
What is the SMILES notation for 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
The canonical SMILES for 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol is Cn1cc(-c2cc3cnc(Nc4ccc(O)cc4F)cc3[nH]2)cn1.
What is the InChIKey of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
The InChIKey is ZCPBAKDVPPSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-23-9-11(8-20-23)15-4-10-7-19-17(6-16(10)21-15)22-14-3-2-12(24)5-13(14)18/h2-9,21,24H,1H3,(H,19,22).
What are the key properties of 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol has a molecular weight of 323.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol is sourced from PubChem (CID 118930200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).