3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile

C17H20FN7O2 — CID 69454940

IUPAC3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile
SMILESN#CCC(N)C1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1
InChIInChI=1S/C17H20FN7O2/c18-12-7-11-14(24(10-1-2-10)17(27)25(21)16(11)26)22-15(12)23-6-4-9(8-23)13(20)3-5-19/h7,9-10,13H,1-4,6,8,20-21H2
InChIKeyADWZLWLTYIHHII-UHFFFAOYSA-N
MW373.39 g/mol
LogP-0.19
Rot. Bonds4

About 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile

3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile (PubChem CID 69454940) has the molecular formula C17H20FN7O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile
PubChem CID69454940
Molecular FormulaC17H20FN7O2
Molecular Weight373.39 g/mol
Exact Mass373.17
IUPAC Name3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile
SMILESN#CCC(N)C1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1
InChIInChI=1S/C17H20FN7O2/c18-12-7-11-14(24(10-1-2-10)17(27)25(21)16(11)26)22-15(12)23-6-4-9(8-23)13(20)3-5-19/h7,9-10,13H,1-4,6,8,20-21H2
InChIKeyADWZLWLTYIHHII-UHFFFAOYSA-N
XLogP-0.19
TPSA135.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile?
The IUPAC name of 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile (CID 69454940) is 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile.
What is the SMILES notation for 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile?
The canonical SMILES for 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile is N#CCC(N)C1CCN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1.
What is the InChIKey of 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile?
The InChIKey is ADWZLWLTYIHHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7O2/c18-12-7-11-14(24(10-1-2-10)17(27)25(21)16(11)26)22-15(12)23-6-4-9(8-23)13(20)3-5-19/h7,9-10,13H,1-4,6,8,20-21H2.
What are the key properties of 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile?
3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile has a molecular weight of 373.39 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[1-(3-amino-1-cyclopropyl-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-3-yl]propanenitrile is sourced from PubChem (CID 69454940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).