4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione

C21H16FN3O3S — CID 22560158

IUPAC4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cc(-c3ccncc3)cs2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C21H16FN3O3S/c1-28-19-17(15-8-13(10-29-15)11-4-6-23-7-5-11)14(22)9-25-18(19)16(12-2-3-12)20(26)24-21(25)27/h4-10,12H,2-3H2,1H3,(H,24,26,27)
InChIKeyUANWFZHDLJKXGU-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.80
Rot. Bonds4

About 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione

4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560158) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560158
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2cc(-c3ccncc3)cs2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C21H16FN3O3S/c1-28-19-17(15-8-13(10-29-15)11-4-6-23-7-5-11)14(22)9-25-18(19)16(12-2-3-12)20(26)24-21(25)27/h4-10,12H,2-3H2,1H3,(H,24,26,27)
InChIKeyUANWFZHDLJKXGU-UHFFFAOYSA-N
XLogP3.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione (CID 22560158) is 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2cc(-c3ccncc3)cs2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is UANWFZHDLJKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-28-19-17(15-8-13(10-29-15)11-4-6-23-7-5-11)14(22)9-25-18(19)16(12-2-3-12)20(26)24-21(25)27/h4-10,12H,2-3H2,1H3,(H,24,26,27).
What are the key properties of 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 409.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-fluoro-5-methoxy-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).