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

C33H29Cl3F2N8O5 — CID 167573891

IUPAC5-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
SMILESCOc1nc(Cl)c2c(=O)[nH]c(=O)n(-c3c(C)ccnc3C(C)C)c2c1F.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2c(Cl)nc(Cl)c(F)c21
InChIInChI=1S/C17H16ClFN4O3.C16H13Cl2FN4O2/c1-7(2)11-12(8(3)5-6-20-11)23-13-9(15(24)22-17(23)25)14(18)21-16(26-4)10(13)19;1-6(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/h5-7H,1-4H3,(H,22,24,25);4-6H,1-3H3,(H,22,24,25)
InChIKeyGGRCTMWZVWLWPR-UHFFFAOYSA-N
MW762.00 g/mol
LogP6.05
Rot. Bonds5

About 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

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 (PubChem CID 167573891) has the molecular formula C33H29Cl3F2N8O5 and a molecular weight of 762.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID167573891
Molecular FormulaC33H29Cl3F2N8O5
Molecular Weight762.00 g/mol
Exact Mass760.13
IUPAC Name5-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
SMILESCOc1nc(Cl)c2c(=O)[nH]c(=O)n(-c3c(C)ccnc3C(C)C)c2c1F.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2c(Cl)nc(Cl)c(F)c21
InChIInChI=1S/C17H16ClFN4O3.C16H13Cl2FN4O2/c1-7(2)11-12(8(3)5-6-20-11)23-13-9(15(24)22-17(23)25)14(18)21-16(26-4)10(13)19;1-6(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/h5-7H,1-4H3,(H,22,24,25);4-6H,1-3H3,(H,22,24,25)
InChIKeyGGRCTMWZVWLWPR-UHFFFAOYSA-N
XLogP6.05
TPSA170.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.00
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(Cl)c2c(=O)[nH]c(=O)n(-c3c(C)ccnc3C(C)C)c2c1F.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2c(Cl)nc(Cl)c(F)c21.
What is the InChIKey of 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?
The InChIKey is GGRCTMWZVWLWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O3.C16H13Cl2FN4O2/c1-7(2)11-12(8(3)5-6-20-11)23-13-9(15(24)22-17(23)25)14(18)21-16(26-4)10(13)19;1-6(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/h5-7H,1-4H3,(H,22,24,25);4-6H,1-3H3,(H,22,24,25).
What are the key properties of 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?
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 has a molecular weight of 762.00 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167573891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).