3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide

C19H27FN8O3 — CID 90211960

IUPAC3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide
SMILESNC(N=O)C(C(=O)Nc1cnccc1N1CC(=O)N2CCCC2C1)C1NCC(F)CN1
InChIInChI=1S/C19H27FN8O3/c20-11-6-23-18(24-7-11)16(17(21)26-31)19(30)25-13-8-22-4-3-14(13)27-9-12-2-1-5-28(12)15(29)10-27/h3-4,8,11-12,16-18,23-24H,1-2,5-7,9-10,21H2,(H,25,30)
InChIKeyGCAPEBYUWHYGFM-UHFFFAOYSA-N
MW434.48 g/mol
LogP-0.64
Rot. Bonds6

About 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide

3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide (PubChem CID 90211960) has the molecular formula C19H27FN8O3 and a molecular weight of 434.48 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide
PubChem CID90211960
Molecular FormulaC19H27FN8O3
Molecular Weight434.48 g/mol
Exact Mass434.22
IUPAC Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide
SMILESNC(N=O)C(C(=O)Nc1cnccc1N1CC(=O)N2CCCC2C1)C1NCC(F)CN1
InChIInChI=1S/C19H27FN8O3/c20-11-6-23-18(24-7-11)16(17(21)26-31)19(30)25-13-8-22-4-3-14(13)27-9-12-2-1-5-28(12)15(29)10-27/h3-4,8,11-12,16-18,23-24H,1-2,5-7,9-10,21H2,(H,25,30)
InChIKeyGCAPEBYUWHYGFM-UHFFFAOYSA-N
XLogP-0.64
TPSA145.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide (CID 90211960) is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide is NC(N=O)C(C(=O)Nc1cnccc1N1CC(=O)N2CCCC2C1)C1NCC(F)CN1.
What is the InChIKey of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide?
The InChIKey is GCAPEBYUWHYGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN8O3/c20-11-6-23-18(24-7-11)16(17(21)26-31)19(30)25-13-8-22-4-3-14(13)27-9-12-2-1-5-28(12)15(29)10-27/h3-4,8,11-12,16-18,23-24H,1-2,5-7,9-10,21H2,(H,25,30).
What are the key properties of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide?
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide has a molecular weight of 434.48 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 90211960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).