(1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol

C23H33NO2 — CID 70357588

IUPAC(1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
SMILESCC[C@@]12CCC(C)(O)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1ccc(O)cc13
InChIInChI=1S/C23H33NO2/c1-3-22-9-8-21(2,26)15-23(22)10-11-24(14-16-4-5-16)20(22)12-17-6-7-18(25)13-19(17)23/h6-7,13,16,20,25-26H,3-5,8-12,14-15H2,1-2H3/t20-,21?,22+,23-/m1/s1
InChIKeyHIUYMJIVJBEPIV-FJPMACBPSA-N
MW355.52 g/mol
LogP4.00
Rot. Bonds3

About (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol

(1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol (PubChem CID 70357588) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol.

Molecular Properties

Compound Name(1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
PubChem CID70357588
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
SMILESCC[C@@]12CCC(C)(O)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1ccc(O)cc13
InChIInChI=1S/C23H33NO2/c1-3-22-9-8-21(2,26)15-23(22)10-11-24(14-16-4-5-16)20(22)12-17-6-7-18(25)13-19(17)23/h6-7,13,16,20,25-26H,3-5,8-12,14-15H2,1-2H3/t20-,21?,22+,23-/m1/s1
InChIKeyHIUYMJIVJBEPIV-FJPMACBPSA-N
XLogP4.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol 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

(1S,9R,10S)-18-(cyclopropylmethyl)-13,18-diazatetracyclo[7.6.3.01,10.02,7]octadeca-2(7),3,5-triene-4,10-diol
CID 167423400
16-(cyclopropylmethyl)-12-propan-2-yl-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4,10-diol
CID 123514689
(1R,9S)-10-(cyclopropylmethyl)-1-ethyl-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 76969780
(1S,9R,10S)-16-(cyclopropylmethyl)-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4,10-diol
CID 129159382
17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
CID 2487
(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
CID 158543337
(1S,9R,10S)-18-(cyclopropylmethyl)-13-(2-piperidin-1-ylethyl)-13,18-diazatetracyclo[7.6.3.01,10.02,7]octadeca-2(7),3,5-triene-4,10-diol
CID 167423388
(1R,9R,10S,13R)-17-(cyclopropylmethyl)-13-(hydroxymethyl)-18-oxa-17-azapentacyclo[7.5.3.110,13.01,10.02,7]octadeca-2(7),3,5-trien-4-ol
CID 44591476
N-[(1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]ethanesulfonamide
CID 77107953
(1R,14S,15S)-25-(cyclopropylmethyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaene-14,20-diol
CID 127032209
(1R,9R,10S)-17-(cyclobutylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
CID 11681630
(1R,9R,10S,12R,13S)-17-(cyclopropylmethyl)-12-(2-methylpropylamino)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10,13-triol
CID 118203357

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol?
The IUPAC name of (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol (CID 70357588) is (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol.
What is the SMILES notation for (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol?
The canonical SMILES for (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol is CC[C@@]12CCC(C)(O)C[C@@]13CCN(CC1CC1)[C@@H]2Cc1ccc(O)cc13.
What is the InChIKey of (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol?
The InChIKey is HIUYMJIVJBEPIV-FJPMACBPSA-N. The full InChI is InChI=1S/C23H33NO2/c1-3-22-9-8-21(2,26)15-23(22)10-11-24(14-16-4-5-16)20(22)12-17-6-7-18(25)13-19(17)23/h6-7,13,16,20,25-26H,3-5,8-12,14-15H2,1-2H3/t20-,21?,22+,23-/m1/s1.
What are the key properties of (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol?
(1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol has a molecular weight of 355.52 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-(cyclopropylmethyl)-10-ethyl-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol is sourced from PubChem (CID 70357588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).