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

C21H16FN3O3S — CID 22560309

IUPAC4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2csc(-c3cccnc3)c2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C21H16FN3O3S/c1-28-19-16(13-7-15(29-10-13)12-3-2-6-23-8-12)14(22)9-25-18(19)17(11-4-5-11)20(26)24-21(25)27/h2-3,6-11H,4-5H2,1H3,(H,24,26,27)
InChIKeyUOQMQRQSWZXSPP-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.80
Rot. Bonds4

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

4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560309) 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-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560309
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2csc(-c3cccnc3)c2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C21H16FN3O3S/c1-28-19-16(13-7-15(29-10-13)12-3-2-6-23-8-12)14(22)9-25-18(19)17(11-4-5-11)20(26)24-21(25)27/h2-3,6-11H,4-5H2,1H3,(H,24,26,27)
InChIKeyUOQMQRQSWZXSPP-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-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione (CID 22560309) is 4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2csc(-c3cccnc3)c2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is UOQMQRQSWZXSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-28-19-16(13-7-15(29-10-13)12-3-2-6-23-8-12)14(22)9-25-18(19)17(11-4-5-11)20(26)24-21(25)27/h2-3,6-11H,4-5H2,1H3,(H,24,26,27).
What are the key properties of 4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
4-cyclopropyl-7-fluoro-5-methoxy-6-(5-pyridin-3-ylthiophen-3-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-(5-pyridin-3-ylthiophen-3-yl)pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).