6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione

C22H19FN4O2S — CID 22560405

IUPAC6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ccc(-c3cccc(CN)n3)s2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C22H19FN4O2S/c1-11-18(17-8-7-16(30-17)15-4-2-3-13(9-24)25-15)14(23)10-27-20(11)19(12-5-6-12)21(28)26-22(27)29/h2-4,7-8,10,12H,5-6,9,24H2,1H3,(H,26,28,29)
InChIKeyBLUGDFHOCQGVJV-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.56
Rot. Bonds4

About 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione

6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560405) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560405
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC Name6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ccc(-c3cccc(CN)n3)s2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C22H19FN4O2S/c1-11-18(17-8-7-16(30-17)15-4-2-3-13(9-24)25-15)14(23)10-27-20(11)19(12-5-6-12)21(28)26-22(27)29/h2-4,7-8,10,12H,5-6,9,24H2,1H3,(H,26,28,29)
InChIKeyBLUGDFHOCQGVJV-UHFFFAOYSA-N
XLogP3.56
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560405) is 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(-c2ccc(-c3cccc(CN)n3)s2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is BLUGDFHOCQGVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-11-18(17-8-7-16(30-17)15-4-2-3-13(9-24)25-15)14(23)10-27-20(11)19(12-5-6-12)21(28)26-22(27)29/h2-4,7-8,10,12H,5-6,9,24H2,1H3,(H,26,28,29).
What are the key properties of 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?
6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 422.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).