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

C20H17F2N5 — CID 52932834

IUPAC6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4F)nc3F)c2c1
InChIInChI=1S/C20H17F2N5/c1-12-7-16-15(11-26-20(16)25-9-12)8-13-4-5-17(27-19(13)22)24-10-14-3-2-6-23-18(14)21/h2-7,9,11H,8,10H2,1H3,(H,24,27)(H,25,26)
InChIKeyZPELTGPUSIGURF-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.14
Rot. Bonds5

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

6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (PubChem CID 52932834) has the molecular formula C20H17F2N5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
PubChem CID52932834
Molecular FormulaC20H17F2N5
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
SMILESCc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4F)nc3F)c2c1
InChIInChI=1S/C20H17F2N5/c1-12-7-16-15(11-26-20(16)25-9-12)8-13-4-5-17(27-19(13)22)24-10-14-3-2-6-23-18(14)21/h2-7,9,11H,8,10H2,1H3,(H,24,27)(H,25,26)
InChIKeyZPELTGPUSIGURF-UHFFFAOYSA-N
XLogP4.14
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine (CID 52932834) is 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is Cc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4F)nc3F)c2c1.
What is the InChIKey of 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
The InChIKey is ZPELTGPUSIGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5/c1-12-7-16-15(11-26-20(16)25-9-12)8-13-4-5-17(27-19(13)22)24-10-14-3-2-6-23-18(14)21/h2-7,9,11H,8,10H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine?
6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine has a molecular weight of 365.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2-fluoro-3-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 52932834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).