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

C21H21FN4O3 — CID 22560171

IUPAC4-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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C21H21FN4O3/c1-29-19-17(25-9-7-13(10-25)15-4-2-3-8-23-15)14(22)11-26-18(19)16(12-5-6-12)20(27)24-21(26)28/h2-4,8,11-13H,5-7,9-10H2,1H3,(H,24,27,28)
InChIKeyOXDAYHCRAQNADO-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.40
Rot. Bonds4

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

4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560171) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560171
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name4-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)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C21H21FN4O3/c1-29-19-17(25-9-7-13(10-25)15-4-2-3-8-23-15)14(22)11-26-18(19)16(12-5-6-12)20(27)24-21(26)28/h2-4,8,11-13H,5-7,9-10H2,1H3,(H,24,27,28)
InChIKeyOXDAYHCRAQNADO-UHFFFAOYSA-N
XLogP2.40
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.40
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-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (CID 22560171) is 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 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 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)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is OXDAYHCRAQNADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-29-19-17(25-9-7-13(10-25)15-4-2-3-8-23-15)14(22)11-26-18(19)16(12-5-6-12)20(27)24-21(26)28/h2-4,8,11-13H,5-7,9-10H2,1H3,(H,24,27,28).
What are the key properties of 4-cyclopropyl-7-fluoro-5-methoxy-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
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 396.42 g/mol, XLogP of 2.40, 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-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).