1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one

C19H19Cl2FN4O2 — CID 170041595

IUPAC1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one
SMILESCCCCOc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C19H19Cl2FN4O2/c1-4-5-8-28-13-6-7-23-14(10(2)3)15(13)26-18-11(16(20)25-19(26)27)9-12(22)17(21)24-18/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOWHNBSOZNIAMFE-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.92
Rot. Bonds6

About 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one

1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one (PubChem CID 170041595) has the molecular formula C19H19Cl2FN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one
PubChem CID170041595
Molecular FormulaC19H19Cl2FN4O2
Molecular Weight425.29 g/mol
Exact Mass424.09
IUPAC Name1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one
SMILESCCCCOc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C19H19Cl2FN4O2/c1-4-5-8-28-13-6-7-23-14(10(2)3)15(13)26-18-11(16(20)25-19(26)27)9-12(22)17(21)24-18/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOWHNBSOZNIAMFE-UHFFFAOYSA-N
XLogP4.92
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one (CID 170041595) is 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one is CCCCOc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.
What is the InChIKey of 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is OWHNBSOZNIAMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN4O2/c1-4-5-8-28-13-6-7-23-14(10(2)3)15(13)26-18-11(16(20)25-19(26)27)9-12(22)17(21)24-18/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one?
1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 425.29 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-2-propan-2-yl-3-pyridinyl)-4,7-dichloro-6-fluoropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 170041595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).