6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione

C19H23F3N4O3 — CID 22560174

IUPAC6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(N)C(F)F)C2)c(F)c(C)n2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C19H23F3N4O3/c1-8-12(20)15(25-6-5-10(7-25)13(23)17(21)22)16(29-2)14-11(9-3-4-9)18(27)24-19(28)26(8)14/h9-10,13,17H,3-7,23H2,1-2H3,(H,24,27,28)
InChIKeyFVRYRPXPIFHLHR-UHFFFAOYSA-N
MW412.41 g/mol
LogP1.74
Rot. Bonds5

About 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione

6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560174) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560174
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC Name6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(N)C(F)F)C2)c(F)c(C)n2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C19H23F3N4O3/c1-8-12(20)15(25-6-5-10(7-25)13(23)17(21)22)16(29-2)14-11(9-3-4-9)18(27)24-19(28)26(8)14/h9-10,13,17H,3-7,23H2,1-2H3,(H,24,27,28)
InChIKeyFVRYRPXPIFHLHR-UHFFFAOYSA-N
XLogP1.74
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560174) is 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(C(N)C(F)F)C2)c(F)c(C)n2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is FVRYRPXPIFHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-8-12(20)15(25-6-5-10(7-25)13(23)17(21)22)16(29-2)14-11(9-3-4-9)18(27)24-19(28)26(8)14/h9-10,13,17H,3-7,23H2,1-2H3,(H,24,27,28).
What are the key properties of 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione?
6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 412.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-amino-2,2-difluoroethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxy-8-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).