[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone

C22H26N4O — CID 70754308

IUPAC[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H26N4O/c1-15-21(10-23-14-24-15)22(27)26-12-16-6-7-19(26)13-25(11-16)20-8-17-4-2-3-5-18(17)9-20/h2-5,10,14,16,19-20H,6-9,11-13H2,1H3/t16-,19+/m0/s1
InChIKeyLIKHHDMMKYYBCD-QFBILLFUSA-N
MW362.48 g/mol
LogP2.49
Rot. Bonds2

About [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone

[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 70754308) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID70754308
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H26N4O/c1-15-21(10-23-14-24-15)22(27)26-12-16-6-7-19(26)13-25(11-16)20-8-17-4-2-3-5-18(17)9-20/h2-5,10,14,16,19-20H,6-9,11-13H2,1H3/t16-,19+/m0/s1
InChIKeyLIKHHDMMKYYBCD-QFBILLFUSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70740192
5-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-1H-pyrazin-2-one
CID 70711821
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 72911122
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-pyrrol-2-yl)methanone
CID 72928172
(3,5-difluoro-2-pyridinyl)-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 164636398
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 72892112
1-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylsulfanylethanone
CID 70758751
(2-amino-4-pyridinyl)-[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70788294
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indazol-3-yl)methanone
CID 72843968
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133115439
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indol-2-yl)methanone
CID 72865657
(2-amino-4-methylpyrimidin-5-yl)-[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133125685

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone (CID 70754308) is [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2.
What is the InChIKey of [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is LIKHHDMMKYYBCD-QFBILLFUSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-21(10-23-14-24-15)22(27)26-12-16-6-7-19(26)13-25(11-16)20-8-17-4-2-3-5-18(17)9-20/h2-5,10,14,16,19-20H,6-9,11-13H2,1H3/t16-,19+/m0/s1.
What are the key properties of [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone?
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 362.48 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70754308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).