(1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane

C22H26N4O2 — CID 72869800

IUPAC(1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane
SMILESCOc1cccc2c1OCC(CN1C[C@H]3CC[C@@H]1CN(c1cnccn1)C3)=C2
InChIInChI=1S/C22H26N4O2/c1-27-20-4-2-3-18-9-17(15-28-22(18)20)13-25-11-16-5-6-19(25)14-26(12-16)21-10-23-7-8-24-21/h2-4,7-10,16,19H,5-6,11-15H2,1H3/t16-,19-/m1/s1
InChIKeyDIKWHEQTFSHPAM-VQIMIIECSA-N
MW378.48 g/mol
LogP2.86
Rot. Bonds4

About (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane

(1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 72869800) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane
PubChem CID72869800
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane
SMILESCOc1cccc2c1OCC(CN1C[C@H]3CC[C@@H]1CN(c1cnccn1)C3)=C2
InChIInChI=1S/C22H26N4O2/c1-27-20-4-2-3-18-9-17(15-28-22(18)20)13-25-11-16-5-6-19(25)14-26(12-16)21-10-23-7-8-24-21/h2-4,7-10,16,19H,5-6,11-15H2,1H3/t16-,19-/m1/s1
InChIKeyDIKWHEQTFSHPAM-VQIMIIECSA-N
XLogP2.86
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(1R,5R)-6-[(2-butyl-1H-imidazol-5-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane
CID 70769345
[4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol
CID 70705472
(2R)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95219403
(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 51633437
1-[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-4-ylsulfanylethanone
CID 70714521
(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-7-pyrazin-2-yl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 137336887
1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 25280743
[(1S,5R)-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70769374
2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124945120
methyl 5-[(8-methoxy-2H-chromen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50979082
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 91838196
(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95308857

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane (CID 72869800) is (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane is COc1cccc2c1OCC(CN1C[C@H]3CC[C@@H]1CN(c1cnccn1)C3)=C2.
What is the InChIKey of (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is DIKWHEQTFSHPAM-VQIMIIECSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-27-20-4-2-3-18-9-17(15-28-22(18)20)13-25-11-16-5-6-19(25)14-26(12-16)21-10-23-7-8-24-21/h2-4,7-10,16,19H,5-6,11-15H2,1H3/t16-,19-/m1/s1.
What are the key properties of (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane?
(1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 378.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 72869800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).