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

C20H18FN5O — CID 52935813

IUPAC6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESCOc1ncccc1CNc1ccc(Cc2c[nH]c3ncccc23)c(F)n1
InChIInChI=1S/C20H18FN5O/c1-27-20-14(4-2-9-23-20)11-24-17-7-6-13(18(21)26-17)10-15-12-25-19-16(15)5-3-8-22-19/h2-9,12H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyQGQODCDKRMKJDK-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.70
Rot. Bonds6

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

6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 52935813) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID52935813
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESCOc1ncccc1CNc1ccc(Cc2c[nH]c3ncccc23)c(F)n1
InChIInChI=1S/C20H18FN5O/c1-27-20-14(4-2-9-23-20)11-24-17-7-6-13(18(21)26-17)10-15-12-25-19-16(15)5-3-8-22-19/h2-9,12H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyQGQODCDKRMKJDK-UHFFFAOYSA-N
XLogP3.70
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (CID 52935813) is 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is COc1ncccc1CNc1ccc(Cc2c[nH]c3ncccc23)c(F)n1.
What is the InChIKey of 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is QGQODCDKRMKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-27-20-14(4-2-9-23-20)11-24-17-7-6-13(18(21)26-17)10-15-12-25-19-16(15)5-3-8-22-19/h2-9,12H,10-11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 52935813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).