7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C16H12ClFN4O2 — CID 135378761

IUPAC7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccnc(C2CC2)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C16H12ClFN4O2/c1-7-4-5-19-11(8-2-3-8)12(7)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14/h4-6,8H,2-3H2,1H3,(H,21,23,24)
InChIKeyYNZJGTYPPISLBA-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.45
Rot. Bonds2

About 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 135378761) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID135378761
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccnc(C2CC2)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C16H12ClFN4O2/c1-7-4-5-19-11(8-2-3-8)12(7)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14/h4-6,8H,2-3H2,1H3,(H,21,23,24)
InChIKeyYNZJGTYPPISLBA-UHFFFAOYSA-N
XLogP2.45
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.45
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-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 135378761) is 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccnc(C2CC2)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YNZJGTYPPISLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c1-7-4-5-19-11(8-2-3-8)12(7)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14/h4-6,8H,2-3H2,1H3,(H,21,23,24).
What are the key properties of 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 346.75 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 135378761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).