3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide

C20H31ClFN9O2 — CID 90382350

IUPAC3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
SMILESCN1CCN2CCN(c3c(Cl)cncc3NC(=O)C(C(N)N=O)C3NCC(F)CN3)CC2C1
InChIInChI=1S/C20H31ClFN9O2/c1-29-2-3-30-4-5-31(11-13(30)10-29)17-14(21)8-24-9-15(17)27-20(32)16(18(23)28-33)19-25-6-12(22)7-26-19/h8-9,12-13,16,18-19,25-26H,2-7,10-11,23H2,1H3,(H,27,32)
InChIKeyHGEPNIMKIHUONW-UHFFFAOYSA-N
MW483.98 g/mol
LogP-0.37
Rot. Bonds6

About 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide

3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide (PubChem CID 90382350) has the molecular formula C20H31ClFN9O2 and a molecular weight of 483.98 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
PubChem CID90382350
Molecular FormulaC20H31ClFN9O2
Molecular Weight483.98 g/mol
Exact Mass483.23
IUPAC Name3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
SMILESCN1CCN2CCN(c3c(Cl)cncc3NC(=O)C(C(N)N=O)C3NCC(F)CN3)CC2C1
InChIInChI=1S/C20H31ClFN9O2/c1-29-2-3-30-4-5-31(11-13(30)10-29)17-14(21)8-24-9-15(17)27-20(32)16(18(23)28-33)19-25-6-12(22)7-26-19/h8-9,12-13,16,18-19,25-26H,2-7,10-11,23H2,1H3,(H,27,32)
InChIKeyHGEPNIMKIHUONW-UHFFFAOYSA-N
XLogP-0.37
TPSA131.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
The IUPAC name of 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide (CID 90382350) is 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide.
What is the SMILES notation for 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
The canonical SMILES for 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide is CN1CCN2CCN(c3c(Cl)cncc3NC(=O)C(C(N)N=O)C3NCC(F)CN3)CC2C1.
What is the InChIKey of 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
The InChIKey is HGEPNIMKIHUONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClFN9O2/c1-29-2-3-30-4-5-31(11-13(30)10-29)17-14(21)8-24-9-15(17)27-20(32)16(18(23)28-33)19-25-6-12(22)7-26-19/h8-9,12-13,16,18-19,25-26H,2-7,10-11,23H2,1H3,(H,27,32).
What are the key properties of 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide has a molecular weight of 483.98 g/mol, XLogP of -0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide is sourced from PubChem (CID 90382350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).