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

C22H20FN5O3S — CID 22560141

IUPAC2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2ccc(-c3cccc(CN)n3)s2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C22H20FN5O3S/c1-31-20-18(16-8-7-15(32-16)14-4-2-3-12(9-24)26-14)13(23)10-27-19(20)17(11-5-6-11)21(29)28(25)22(27)30/h2-4,7-8,10-11H,5-6,9,24-25H2,1H3
InChIKeyNWPJIGZMKGPJPW-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.45
Rot. Bonds5

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

2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560141) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560141
Molecular FormulaC22H20FN5O3S
Molecular Weight453.50 g/mol
Exact Mass453.13
IUPAC Name2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(-c2ccc(-c3cccc(CN)n3)s2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C22H20FN5O3S/c1-31-20-18(16-8-7-15(32-16)14-4-2-3-12(9-24)26-14)13(23)10-27-19(20)17(11-5-6-11)21(29)28(25)22(27)30/h2-4,7-8,10-11H,5-6,9,24-25H2,1H3
InChIKeyNWPJIGZMKGPJPW-UHFFFAOYSA-N
XLogP2.45
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560141) is 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(-c2ccc(-c3cccc(CN)n3)s2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is NWPJIGZMKGPJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-31-20-18(16-8-7-15(32-16)14-4-2-3-12(9-24)26-14)13(23)10-27-19(20)17(11-5-6-11)21(29)28(25)22(27)30/h2-4,7-8,10-11H,5-6,9,24-25H2,1H3.
What are the key properties of 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 453.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-[6-(aminomethyl)-2-pyridinyl]thiophen-2-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).