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

C21H22FN5O2 — CID 10200719

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C21H22FN5O2/c1-12-18(25-9-7-14(10-25)16-4-2-3-8-24-16)15(22)11-26-19(12)17(13-5-6-13)20(28)27(23)21(26)29/h2-4,8,11,13-14H,5-7,9-10,23H2,1H3
InChIKeyNNJWXWNOSBXKEM-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.89
Rot. Bonds3

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

2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10200719) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methyl-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-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10200719
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(N2CCC(c3ccccn3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C21H22FN5O2/c1-12-18(25-9-7-14(10-25)16-4-2-3-8-24-16)15(22)11-26-19(12)17(13-5-6-13)20(28)27(23)21(26)29/h2-4,8,11,13-14H,5-7,9-10,23H2,1H3
InChIKeyNNJWXWNOSBXKEM-UHFFFAOYSA-N
XLogP1.89
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methyl-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-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione (CID 10200719) is 2-amino-4-cyclopropyl-7-fluoro-5-methyl-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-methyl-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-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(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-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is NNJWXWNOSBXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-12-18(25-9-7-14(10-25)16-4-2-3-8-24-16)15(22)11-26-19(12)17(13-5-6-13)20(28)27(23)21(26)29/h2-4,8,11,13-14H,5-7,9-10,23H2,1H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 395.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10200719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).