(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine

C23H21FN4O — CID 170036270

IUPAC(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccccn2)cc(-c2c(F)ncc3c2C=CC3)n1
InChIInChI=1S/C23H21FN4O/c1-15-14-29-10-9-28(15)21-12-17(19-7-2-3-8-25-19)11-20(27-21)22-18-6-4-5-16(18)13-26-23(22)24/h2-4,6-8,11-13,15H,5,9-10,14H2,1H3/t15-/m1/s1
InChIKeyLQQYCOMQZYWPJG-OAHLLOKOSA-N
MW388.45 g/mol
LogP4.14
Rot. Bonds3

About (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine

(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine (PubChem CID 170036270) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine
PubChem CID170036270
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccccn2)cc(-c2c(F)ncc3c2C=CC3)n1
InChIInChI=1S/C23H21FN4O/c1-15-14-29-10-9-28(15)21-12-17(19-7-2-3-8-25-19)11-20(27-21)22-18-6-4-5-16(18)13-26-23(22)24/h2-4,6-8,11-13,15H,5,9-10,14H2,1H3/t15-/m1/s1
InChIKeyLQQYCOMQZYWPJG-OAHLLOKOSA-N
XLogP4.14
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
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 (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine (CID 170036270) is (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccccn2)cc(-c2c(F)ncc3c2C=CC3)n1.
What is the InChIKey of (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine?
The InChIKey is LQQYCOMQZYWPJG-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15-14-29-10-9-28(15)21-12-17(19-7-2-3-8-25-19)11-20(27-21)22-18-6-4-5-16(18)13-26-23(22)24/h2-4,6-8,11-13,15H,5,9-10,14H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine?
(3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine has a molecular weight of 388.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-(3-fluoro-7H-cyclopenta[c]pyridin-4-yl)-4-pyridin-2-yl-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 170036270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).