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

C19H15FN4 — CID 146253171

IUPAC6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine
SMILESCNc1ccc(-c2ccc(-c3cc4ccncc4[nH]3)cc2)c(F)n1
InChIInChI=1S/C19H15FN4/c1-21-18-7-6-15(19(20)24-18)12-2-4-13(5-3-12)16-10-14-8-9-22-11-17(14)23-16/h2-11,23H,1H3,(H,21,24)
InChIKeyLTVRNEYOYQTBNX-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.47
Rot. Bonds3

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

6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine (PubChem CID 146253171) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine
PubChem CID146253171
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine
SMILESCNc1ccc(-c2ccc(-c3cc4ccncc4[nH]3)cc2)c(F)n1
InChIInChI=1S/C19H15FN4/c1-21-18-7-6-15(19(20)24-18)12-2-4-13(5-3-12)16-10-14-8-9-22-11-17(14)23-16/h2-11,23H,1H3,(H,21,24)
InChIKeyLTVRNEYOYQTBNX-UHFFFAOYSA-N
XLogP4.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-fluoro-5-(6-methyl-3-pyridinyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine
CID 146253312
4-[2-fluoro-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N,N-dimethylaniline
CID 146253131
2-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11480986
2-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridine
CID 146619016
5-[3-fluoro-4-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-N-methylpyridin-2-amine
CID 146253000
N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine
CID 155726928
2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline
CID 146253057
trimethyl(1H-pyrrolo[2,3-c]pyridin-2-yl)silane
CID 15350909
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635
1H-pyrrolo[2,3-c]pyridin-2-ylhydrazine
CID 67216460
4-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1,3-thiazole
CID 119090254

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine (CID 146253171) is 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine is CNc1ccc(-c2ccc(-c3cc4ccncc4[nH]3)cc2)c(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine?
The InChIKey is LTVRNEYOYQTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-21-18-7-6-15(19(20)24-18)12-2-4-13(5-3-12)16-10-14-8-9-22-11-17(14)23-16/h2-11,23H,1H3,(H,21,24).
What are the key properties of 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine?
6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine has a molecular weight of 318.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-5-[4-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 146253171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).