6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C23H20ClFN4O2 — CID 151655175

IUPAC6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C23H20ClFN4O2/c1-4-13-9-10-26-18(12(2)3)20(13)29-21-15(22(30)28-23(29)31)11-16(24)19(27-21)14-7-5-6-8-17(14)25/h5-12H,4H2,1-3H3,(H,28,30,31)
InChIKeyQVIPAUANPMBICI-UHFFFAOYSA-N
MW438.89 g/mol
LogP4.61
Rot. Bonds4

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

6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 151655175) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID151655175
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC Name6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C23H20ClFN4O2/c1-4-13-9-10-26-18(12(2)3)20(13)29-21-15(22(30)28-23(29)31)11-16(24)19(27-21)14-7-5-6-8-17(14)25/h5-12H,4H2,1-3H3,(H,28,30,31)
InChIKeyQVIPAUANPMBICI-UHFFFAOYSA-N
XLogP4.61
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 151655175) is 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QVIPAUANPMBICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-4-13-9-10-26-18(12(2)3)20(13)29-21-15(22(30)28-23(29)31)11-16(24)19(27-21)14-7-5-6-8-17(14)25/h5-12H,4H2,1-3H3,(H,28,30,31).
What are the key properties of 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 438.89 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 151655175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).