8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C19H25ClN6O2 — CID 163273569

IUPAC8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCn1c(N2CCN3CCOCC3C2)nc2c(N3C[C@H]4C[C@@H]3CO4)nc(Cl)cc21
InChIInChI=1S/C19H25ClN6O2/c1-23-15-7-16(20)21-18(26-9-14-6-12(26)11-28-14)17(15)22-19(23)25-3-2-24-4-5-27-10-13(24)8-25/h7,12-14H,2-6,8-11H2,1H3/t12-,13?,14-/m1/s1
InChIKeyIHNJYBGKWNTMHC-WYAMFQBQSA-N
MW404.90 g/mol
LogP1.12
Rot. Bonds2

About 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 163273569) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID163273569
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC Name8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCn1c(N2CCN3CCOCC3C2)nc2c(N3C[C@H]4C[C@@H]3CO4)nc(Cl)cc21
InChIInChI=1S/C19H25ClN6O2/c1-23-15-7-16(20)21-18(26-9-14-6-12(26)11-28-14)17(15)22-19(23)25-3-2-24-4-5-27-10-13(24)8-25/h7,12-14H,2-6,8-11H2,1H3/t12-,13?,14-/m1/s1
InChIKeyIHNJYBGKWNTMHC-WYAMFQBQSA-N
XLogP1.12
TPSA58.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

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Related Compounds

8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-2-oxa-8-azaspiro[4.5]decane
CID 163273760
(1R,4R)-5-[6-chloro-1-methyl-2-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)imidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 163273450
(1S,4S)-5-(4,6-dichloro-1-methylimidazo[4,5-c]pyridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164757852
(1S,4S)-5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169246358
5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131048767
5-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 172875495
(9aS)-8-(6-chloropyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 138543962
(3aS,6aR)-5-(4,6-dichloro-1-methylimidazo[4,5-c]pyridin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 163273404
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
CID 71846233
(1S,4S)-5-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 153284237
N-[3-methanimidoyl-6-(4-methoxy-3-pyridinyl)-2-methyl-4-pyridinyl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)imidazo[4,5-c]pyridin-6-amine
CID 163273436
(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530

Frequently Asked Questions

What is the IUPAC name of 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 163273569) is 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is Cn1c(N2CCN3CCOCC3C2)nc2c(N3C[C@H]4C[C@@H]3CO4)nc(Cl)cc21.
What is the InChIKey of 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is IHNJYBGKWNTMHC-WYAMFQBQSA-N. The full InChI is InChI=1S/C19H25ClN6O2/c1-23-15-7-16(20)21-18(26-9-14-6-12(26)11-28-14)17(15)22-19(23)25-3-2-24-4-5-27-10-13(24)8-25/h7,12-14H,2-6,8-11H2,1H3/t12-,13?,14-/m1/s1.
What are the key properties of 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 404.90 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-chloro-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]imidazo[4,5-c]pyridin-2-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 163273569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).