(5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone

C19H18ClFNO3PS — CID 154940027

IUPAC(5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone
SMILESCCCc1c(C(=O)c2c(F)c(OC)cc(OC)c2P)sc2cnc(Cl)cc12
InChIInChI=1S/C19H18ClFNO3PS/c1-4-5-9-10-6-14(20)22-8-13(10)27-19(9)17(23)15-16(21)11(24-2)7-12(25-3)18(15)26/h6-8H,4-5,26H2,1-3H3
InChIKeyDZTZCINMKMPUGQ-UHFFFAOYSA-N
MW425.85 g/mol
LogP4.79
Rot. Bonds6

About (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone

(5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone (PubChem CID 154940027) has the molecular formula C19H18ClFNO3PS and a molecular weight of 425.85 g/mol. Its IUPAC name is (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone
PubChem CID154940027
Molecular FormulaC19H18ClFNO3PS
Molecular Weight425.85 g/mol
Exact Mass425.04
IUPAC Name(5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone
SMILESCCCc1c(C(=O)c2c(F)c(OC)cc(OC)c2P)sc2cnc(Cl)cc12
InChIInChI=1S/C19H18ClFNO3PS/c1-4-5-9-10-6-14(20)22-8-13(10)27-19(9)17(23)15-16(21)11(24-2)7-12(25-3)18(15)26/h6-8H,4-5,26H2,1-3H3
InChIKeyDZTZCINMKMPUGQ-UHFFFAOYSA-N
XLogP4.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone?
The IUPAC name of (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone (CID 154940027) is (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone.
What is the SMILES notation for (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone?
The canonical SMILES for (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone is CCCc1c(C(=O)c2c(F)c(OC)cc(OC)c2P)sc2cnc(Cl)cc12.
What is the InChIKey of (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone?
The InChIKey is DZTZCINMKMPUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFNO3PS/c1-4-5-9-10-6-14(20)22-8-13(10)27-19(9)17(23)15-16(21)11(24-2)7-12(25-3)18(15)26/h6-8H,4-5,26H2,1-3H3.
What are the key properties of (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone?
(5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone has a molecular weight of 425.85 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-propylthieno[2,3-c]pyridin-2-yl)-(2-fluoro-3,5-dimethoxy-6-phosphanylphenyl)methanone is sourced from PubChem (CID 154940027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).