[(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol

C22H37N3O — CID 175102334

IUPAC[(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
SMILESCNC[C@H]1[C@H]2CC[C@H](C)[C@@H]2[C@H](C)C[C@@H]1[C@@]1(C)Cc2cn[nH]c2C[C@@H]1CO
InChIInChI=1S/C22H37N3O/c1-13-5-6-17-18(11-23-4)19(7-14(2)21(13)17)22(3)9-15-10-24-25-20(15)8-16(22)12-26/h10,13-14,16-19,21,23,26H,5-9,11-12H2,1-4H3,(H,24,25)/t13-,14+,16+,17+,18-,19-,21+,22-/m0/s1
InChIKeyGLJAWKAKWKJCRE-LJCQODBISA-N
MW359.56 g/mol
LogP3.28
Rot. Bonds4

About [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol

[(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol (PubChem CID 175102334) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol.

Molecular Properties

Compound Name[(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
PubChem CID175102334
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name[(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol
SMILESCNC[C@H]1[C@H]2CC[C@H](C)[C@@H]2[C@H](C)C[C@@H]1[C@@]1(C)Cc2cn[nH]c2C[C@@H]1CO
InChIInChI=1S/C22H37N3O/c1-13-5-6-17-18(11-23-4)19(7-14(2)21(13)17)22(3)9-15-10-24-25-20(15)8-16(22)12-26/h10,13-14,16-19,21,23,26H,5-9,11-12H2,1-4H3,(H,24,25)/t13-,14+,16+,17+,18-,19-,21+,22-/m0/s1
InChIKeyGLJAWKAKWKJCRE-LJCQODBISA-N
XLogP3.28
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol with MolForge

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Related Compounds

Stanozolol
CID 25249
16beta-Hydroxystanozolol
CID 14299609
(1'S,2S,2'S,3R,3aS,6S,7aR,10'R,13'R,14'S)-2',3,6,19'-tetramethylspiro[3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine-2,17'-6,7-diazapentacyclo[11.8.0.02,10.04,8.014,20]henicosa-4(8),5,19-triene]
CID 25027653
(1'S,2S,2'R,3R,3aS,6S,7aR,10'S,13'R,14'S)-2',3,6,19'-tetramethylspiro[3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine-2,17'-6,7-diazapentacyclo[11.8.0.02,10.05,9.014,20]henicosa-5(9),7,19-triene]
CID 25027873
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
(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
(1'S,2S,2'S,3R,3aR,6S,7aR,10'R,13'R,14'S)-2',3,6,19'-tetramethylspiro[3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine-2,17'-6,7-diazapentacyclo[11.8.0.02,10.04,8.014,20]henicosa-4(8),5,19-triene]
CID 52948038
(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
17alpha-Demethylated stanozolol
CID 11897297
10,13-dimethyl-17-(1H-pyrazol-5-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 5171649
Stanozolol-d3
CID 90476982
(2S,10S,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 6426704

Frequently Asked Questions

What is the IUPAC name of [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol?
The IUPAC name of [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol (CID 175102334) is [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol.
What is the SMILES notation for [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol?
The canonical SMILES for [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol is CNC[C@H]1[C@H]2CC[C@H](C)[C@@H]2[C@H](C)C[C@@H]1[C@@]1(C)Cc2cn[nH]c2C[C@@H]1CO.
What is the InChIKey of [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol?
The InChIKey is GLJAWKAKWKJCRE-LJCQODBISA-N. The full InChI is InChI=1S/C22H37N3O/c1-13-5-6-17-18(11-23-4)19(7-14(2)21(13)17)22(3)9-15-10-24-25-20(15)8-16(22)12-26/h10,13-14,16-19,21,23,26H,5-9,11-12H2,1-4H3,(H,24,25)/t13-,14+,16+,17+,18-,19-,21+,22-/m0/s1.
What are the key properties of [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol?
[(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol has a molecular weight of 359.56 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S)-5-[(1S,3aS,4S,5S,7R,7aR)-1,7-dimethyl-4-(methylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol is sourced from PubChem (CID 175102334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).