2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H33ClFN9O2 — CID 90212165

IUPAC2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cncc(Cl)c1N1CCN2CCN(C3COC3)CC2C1
InChIInChI=1S/C22H33ClFN9O2/c23-16-6-26-7-17(28-22(34)18-20(25)29-33-8-13(24)5-27-21(18)33)19(16)32-4-2-30-1-3-31(9-14(30)10-32)15-11-35-12-15/h6-7,13-15,18,20-21,27,29H,1-5,8-12,25H2,(H,28,34)
InChIKeyBTVWBYJEPCCSOQ-UHFFFAOYSA-N
MW510.02 g/mol
LogP-1.13
Rot. Bonds4

About 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90212165) has the molecular formula C22H33ClFN9O2 and a molecular weight of 510.02 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90212165
Molecular FormulaC22H33ClFN9O2
Molecular Weight510.02 g/mol
Exact Mass509.24
IUPAC Name2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cncc(Cl)c1N1CCN2CCN(C3COC3)CC2C1
InChIInChI=1S/C22H33ClFN9O2/c23-16-6-26-7-17(28-22(34)18-20(25)29-33-8-13(24)5-27-21(18)33)19(16)32-4-2-30-1-3-31(9-14(30)10-32)15-11-35-12-15/h6-7,13-15,18,20-21,27,29H,1-5,8-12,25H2,(H,28,34)
InChIKeyBTVWBYJEPCCSOQ-UHFFFAOYSA-N
XLogP-1.13
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.02
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 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 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90212165) is 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)Nc1cncc(Cl)c1N1CCN2CCN(C3COC3)CC2C1.
What is the InChIKey of 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BTVWBYJEPCCSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClFN9O2/c23-16-6-26-7-17(28-22(34)18-20(25)29-33-8-13(24)5-27-21(18)33)19(16)32-4-2-30-1-3-31(9-14(30)10-32)15-11-35-12-15/h6-7,13-15,18,20-21,27,29H,1-5,8-12,25H2,(H,28,34).
What are the key properties of 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 510.02 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-4-[8-(oxetan-3-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90212165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).