7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C18H18ClFN4O2 — CID 150828232

IUPAC7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C18H18ClFN4O2/c1-8(2)10-5-6-21-13(9(3)4)14(10)24-16-11(17(25)23-18(24)26)7-12(20)15(19)22-16/h5-9H,1-4H3,(H,23,25,26)
InChIKeyKLJSAJWSQCZGSD-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.51
Rot. Bonds3

About 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 150828232) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID150828232
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC Name7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C18H18ClFN4O2/c1-8(2)10-5-6-21-13(9(3)4)14(10)24-16-11(17(25)23-18(24)26)7-12(20)15(19)22-16/h5-9H,1-4H3,(H,23,25,26)
InChIKeyKLJSAJWSQCZGSD-UHFFFAOYSA-N
XLogP3.51
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 150828232) is 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KLJSAJWSQCZGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c1-8(2)10-5-6-21-13(9(3)4)14(10)24-16-11(17(25)23-18(24)26)7-12(20)15(19)22-16/h5-9H,1-4H3,(H,23,25,26).
What are the key properties of 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 376.82 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 150828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).