6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine

C19H17FN6O — CID 54588867

IUPAC6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCOc1ncnc2[nH]cc(Cc3ccc(Nc4ccc(C)nc4)nc3F)c12
InChIInChI=1S/C19H17FN6O/c1-11-3-5-14(9-21-11)25-15-6-4-12(17(20)26-15)7-13-8-22-18-16(13)19(27-2)24-10-23-18/h3-6,8-10H,7H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyRLTNGNNFWLIEBA-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.54
Rot. Bonds5

About 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine

6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine (PubChem CID 54588867) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
PubChem CID54588867
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCOc1ncnc2[nH]cc(Cc3ccc(Nc4ccc(C)nc4)nc3F)c12
InChIInChI=1S/C19H17FN6O/c1-11-3-5-14(9-21-11)25-15-6-4-12(17(20)26-15)7-13-8-22-18-16(13)19(27-2)24-10-23-18/h3-6,8-10H,7H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyRLTNGNNFWLIEBA-UHFFFAOYSA-N
XLogP3.54
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine (CID 54588867) is 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine is COc1ncnc2[nH]cc(Cc3ccc(Nc4ccc(C)nc4)nc3F)c12.
What is the InChIKey of 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The InChIKey is RLTNGNNFWLIEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-11-3-5-14(9-21-11)25-15-6-4-12(17(20)26-15)7-13-8-22-18-16(13)19(27-2)24-10-23-18/h3-6,8-10H,7H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine has a molecular weight of 364.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-(6-methyl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 54588867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).