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

C21H22FN5O3 — CID 22560192

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C21H22FN5O3/c1-30-19-17(25-9-7-13(10-25)15-4-2-3-8-24-15)14(22)11-26-18(19)16(12-5-6-12)20(28)27(23)21(26)29/h2-4,8,11-13H,5-7,9-10,23H2,1H3
InChIKeyCLLOADGMCTTXRF-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.59
Rot. Bonds4

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

2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560192) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560192
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C21H22FN5O3/c1-30-19-17(25-9-7-13(10-25)15-4-2-3-8-24-15)14(22)11-26-18(19)16(12-5-6-12)20(28)27(23)21(26)29/h2-4,8,11-13H,5-7,9-10,23H2,1H3
InChIKeyCLLOADGMCTTXRF-UHFFFAOYSA-N
XLogP1.59
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (CID 22560192) is 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is CLLOADGMCTTXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-30-19-17(25-9-7-13(10-25)15-4-2-3-8-24-15)14(22)11-26-18(19)16(12-5-6-12)20(28)27(23)21(26)29/h2-4,8,11-13H,5-7,9-10,23H2,1H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 411.44 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).