1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol

C21H32N2O — CID 5277

IUPAC2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol
SMILESCC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=C(C4)NN=C5)C
InChIInChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)
InChIKeyLKAJKIOFIWVMDJ-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.50
Rot. Bonds

About 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol

1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol (PubChem CID 5277) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol.

Molecular Properties

Compound Name1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol
PubChem CID5277
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol
SMILESCC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=C(C4)NN=C5)C
InChIInChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)
InChIKeyLKAJKIOFIWVMDJ-UHFFFAOYSA-N
XLogP4.50
TPSA48.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity538

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol with MolForge

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Related Compounds

Stanozolol
CID 25249
Zanoterone
CID 9844827
16beta-Hydroxystanozolol
CID 14299609
(4b,5a,17b)-17-Methyl-2'H-androst-2-eno[3,2-c]pyrazole-4,17-diol
CID 53477768
(4R)-4-[(1S,2S,10S,11R,12R,13S,14S,17R,18R)-11-ethyl-12-hydroxy-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl]pentanoic acid
CID 145177850
[3,2-c]Pyrazole-androst-4-en-17beta-ol
CID 125181411
Hydroxystenozole
CID 238684
2,17,18-Trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
CID 5030588
(10R,13S)-10,13-Dimethyl-17-(2H-pyrazol-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 44340421
(1R,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol
CID 73265407
1'H-Lup-20(29)-eno[3,2-c]pyrazol-28-oic acid
CID 56928318
17alpha-Demethylated stanozolol
CID 11897297

Frequently Asked Questions

What is the IUPAC name of 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol?
The IUPAC name of 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol (CID 5277) is 2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol.
What is the SMILES notation for 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol?
The canonical SMILES for 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol is CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=C(C4)NN=C5)C.
What is the InChIKey of 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol?
The InChIKey is LKAJKIOFIWVMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23).
What are the key properties of 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol?
1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol has a molecular weight of 328.50 g/mol, XLogP of 4.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta(5,6)naphtho(1,2-f)indazol-1-ol is sourced from PubChem (CID 5277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).