6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

C19H16FN5O — CID 123809769

IUPAC6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ccc(-c3c(C)cnc4[nH]ccc34)c(F)n2)cn1
InChIInChI=1S/C19H16FN5O/c1-11-9-23-19-14(7-8-21-19)17(11)13-4-5-15(25-18(13)20)24-12-3-6-16(26-2)22-10-12/h3-10H,1-2H3,(H,21,23)(H,24,25)
InChIKeyGJFKGYZSVTXKBQ-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.22
Rot. Bonds4

About 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine

6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (PubChem CID 123809769) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
PubChem CID123809769
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ccc(-c3c(C)cnc4[nH]ccc34)c(F)n2)cn1
InChIInChI=1S/C19H16FN5O/c1-11-9-23-19-14(7-8-21-19)17(11)13-4-5-15(25-18(13)20)24-12-3-6-16(26-2)22-10-12/h3-10H,1-2H3,(H,21,23)(H,24,25)
InChIKeyGJFKGYZSVTXKBQ-UHFFFAOYSA-N
XLogP4.22
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine with MolForge

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Related Compounds

8-fluoro-N-(6-methoxy-3-pyridinyl)quinolin-2-amine
CID 139422667
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
2-[(6-methoxy-3-pyridinyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765734
6-methoxy-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 62326998
6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
CID 54588867
N-[4-[4-[(6-methoxy-3-pyridinyl)sulfanylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 138572373
N-(6-chloro-3-pyridinyl)-6-fluoro-5-[(4-methoxy-2,7-dihydro-1H-pyrrolo[2,3-d]triazin-5-yl)methyl]pyridin-2-amine
CID 137232721
N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170200023
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 140513842
(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine (CID 123809769) is 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is COc1ccc(Nc2ccc(-c3c(C)cnc4[nH]ccc34)c(F)n2)cn1.
What is the InChIKey of 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
The InChIKey is GJFKGYZSVTXKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11-9-23-19-14(7-8-21-19)17(11)13-4-5-15(25-18(13)20)24-12-3-6-16(26-2)22-10-12/h3-10H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine?
6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine has a molecular weight of 349.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(6-methoxy-3-pyridinyl)-5-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-amine is sourced from PubChem (CID 123809769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).