9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone

C41H42N4O4 — CID 160698902

IUPAC9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone
SMILESCn1c2ccccc2c2cc(C(=O)N3CC4CC(O)CC3C4)ccc21.O=C(c1ccc2[nH]c3ccccc3c2c1)N1CC2CC(O)CC1C2
InChIInChI=1S/C21H22N2O2.C20H20N2O2/c1-22-19-5-3-2-4-17(19)18-10-14(6-7-20(18)22)21(25)23-12-13-8-15(23)11-16(24)9-13;23-15-8-12-7-14(10-15)22(11-12)20(24)13-5-6-19-17(9-13)16-3-1-2-4-18(16)21-19/h2-7,10,13,15-16,24H,8-9,11-12H2,1H3;1-6,9,12,14-15,21,23H,7-8,10-11H2
InChIKeyRQIVXUSSSTWVOO-UHFFFAOYSA-N
MW654.81 g/mol
LogP6.62
Rot. Bonds2

About 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone

9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone (PubChem CID 160698902) has the molecular formula C41H42N4O4 and a molecular weight of 654.81 g/mol. Its IUPAC name is 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone
PubChem CID160698902
Molecular FormulaC41H42N4O4
Molecular Weight654.81 g/mol
Exact Mass654.32
IUPAC Name9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone
SMILESCn1c2ccccc2c2cc(C(=O)N3CC4CC(O)CC3C4)ccc21.O=C(c1ccc2[nH]c3ccccc3c2c1)N1CC2CC(O)CC1C2
InChIInChI=1S/C21H22N2O2.C20H20N2O2/c1-22-19-5-3-2-4-17(19)18-10-14(6-7-20(18)22)21(25)23-12-13-8-15(23)11-16(24)9-13;23-15-8-12-7-14(10-15)22(11-12)20(24)13-5-6-19-17(9-13)16-3-1-2-4-18(16)21-19/h2-7,10,13,15-16,24H,8-9,11-12H2,1H3;1-6,9,12,14-15,21,23H,7-8,10-11H2
InChIKeyRQIVXUSSSTWVOO-UHFFFAOYSA-N
XLogP6.62
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
CID 139458547
9H-carbazole;9-methylcarbazole
CID 142567226
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
1-(9-methylcarbazol-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid
CID 5163425
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332978
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
CID 82667262
1-(6-acetyl-9H-carbazol-3-yl)ethanone;tris(1-[6-acetyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone);9H-carbazole;methane;dihydrochloride
CID 159995007
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazol-3-yl-(2-methoxyphenyl)methanone
CID 175474273
(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone
CID 121451720
3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole
CID 138614052
[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone
CID 45179608

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone?
The IUPAC name of 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone (CID 160698902) is 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone.
What is the SMILES notation for 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone?
The canonical SMILES for 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone is Cn1c2ccccc2c2cc(C(=O)N3CC4CC(O)CC3C4)ccc21.O=C(c1ccc2[nH]c3ccccc3c2c1)N1CC2CC(O)CC1C2.
What is the InChIKey of 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone?
The InChIKey is RQIVXUSSSTWVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.C20H20N2O2/c1-22-19-5-3-2-4-17(19)18-10-14(6-7-20(18)22)21(25)23-12-13-8-15(23)11-16(24)9-13;23-15-8-12-7-14(10-15)22(11-12)20(24)13-5-6-19-17(9-13)16-3-1-2-4-18(16)21-19/h2-7,10,13,15-16,24H,8-9,11-12H2,1H3;1-6,9,12,14-15,21,23H,7-8,10-11H2.
What are the key properties of 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone?
9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone has a molecular weight of 654.81 g/mol, XLogP of 6.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone is sourced from PubChem (CID 160698902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).