5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione

C16H13Cl2FN4O2 — CID 165158840

IUPAC5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2c(Cl)nc(Cl)c(F)c21
InChIInChI=1S/C16H13Cl2FN4O2/c1-6(2)10-11(7(3)4-5-20-10)23-12-8(15(24)22-16(23)25)13(17)21-14(18)9(12)19/h4-6H,1-3H3,(H,22,24,25)
InChIKeyXUKCIWKDULNAOA-UHFFFAOYSA-N
MW383.21 g/mol
LogP3.35
Rot. Bonds2

About 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione

5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 165158840) has the molecular formula C16H13Cl2FN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID165158840
Molecular FormulaC16H13Cl2FN4O2
Molecular Weight383.21 g/mol
Exact Mass382.04
IUPAC Name5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2c(Cl)nc(Cl)c(F)c21
InChIInChI=1S/C16H13Cl2FN4O2/c1-6(2)10-11(7(3)4-5-20-10)23-12-8(15(24)22-16(23)25)13(17)21-14(18)9(12)19/h4-6H,1-3H3,(H,22,24,25)
InChIKeyXUKCIWKDULNAOA-UHFFFAOYSA-N
XLogP3.35
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-chloro-8-fluoro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione;5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 167573891
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
CID 154593935
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-8-oxidopyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 167376865
6,7-dichloro-4-(4-methyl-2-propan-2-yl-3-pyridinyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 163236140
4,7-dichloro-5-cyclopropyloxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidin-2-one
CID 156635198
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 175891247
11-chloro-12-(2,6-dihydroxyphenyl)-13-fluoro-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione
CID 165159213
7-bromo-6-chloro-8-fluoro-4-hydroxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-methylsulfonylquinolin-2-one
CID 163560177
11-chloro-12-(2,3-difluoro-6-hydroxyphenyl)-13-fluoro-9-methyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione
CID 165159873
6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
CID 164523585
(7S)-13-fluoro-12-(2-fluoro-6-hydroxyphenyl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,11,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
CID 167585434
4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
CID 156697793

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione (CID 165158840) is 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione is Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2c(Cl)nc(Cl)c(F)c21.
What is the InChIKey of 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is XUKCIWKDULNAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN4O2/c1-6(2)10-11(7(3)4-5-20-10)23-12-8(15(24)22-16(23)25)13(17)21-14(18)9(12)19/h4-6H,1-3H3,(H,22,24,25).
What are the key properties of 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione?
5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 383.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 165158840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).