6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C18H23FN4O4 — CID 22560165

IUPAC6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(N)CO)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H23FN4O4/c1-27-16-14(22-5-4-10(6-22)12(20)8-24)11(19)7-23-15(16)13(9-2-3-9)17(25)21-18(23)26/h7,9-10,12,24H,2-6,8,20H2,1H3,(H,21,25,26)
InChIKeyNTTPJXRABOQHNW-UHFFFAOYSA-N
MW378.40 g/mol
LogP0.16
Rot. Bonds5

About 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560165) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560165
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(C(N)CO)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H23FN4O4/c1-27-16-14(22-5-4-10(6-22)12(20)8-24)11(19)7-23-15(16)13(9-2-3-9)17(25)21-18(23)26/h7,9-10,12,24H,2-6,8,20H2,1H3,(H,21,25,26)
InChIKeyNTTPJXRABOQHNW-UHFFFAOYSA-N
XLogP0.16
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560165) is 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(C(N)CO)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is NTTPJXRABOQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-27-16-14(22-5-4-10(6-22)12(20)8-24)11(19)7-23-15(16)13(9-2-3-9)17(25)21-18(23)26/h7,9-10,12,24H,2-6,8,20H2,1H3,(H,21,25,26).
What are the key properties of 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 378.40 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-amino-2-hydroxyethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).