(3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene

C24H34N2O — CID 144696246

IUPAC(3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene
SMILESCOc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCCNC[C@H](C3)C2
InChIInChI=1S/C24H34N2O/c1-27-20-6-5-19-11-22-24-7-2-9-25-15-18(14-24)13-23(24,21(19)12-20)8-10-26(22)16-17-3-4-17/h5-6,12,17-18,22,25H,2-4,7-11,13-16H2,1H3/t18-,22?,23?,24?/m1/s1
InChIKeyYYVMMHRZXKSELE-COJDMCMLSA-N
MW366.55 g/mol
LogP3.75
Rot. Bonds3

About (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene

(3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene (PubChem CID 144696246) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene.

Molecular Properties

Compound Name(3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene
PubChem CID144696246
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name(3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene
SMILESCOc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCCNC[C@H](C3)C2
InChIInChI=1S/C24H34N2O/c1-27-20-6-5-19-11-22-24-7-2-9-25-15-18(14-24)13-23(24,21(19)12-20)8-10-26(22)16-17-3-4-17/h5-6,12,17-18,22,25H,2-4,7-11,13-16H2,1H3/t18-,22?,23?,24?/m1/s1
InChIKeyYYVMMHRZXKSELE-COJDMCMLSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene 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

12-amino-16-(cyclopropylmethyl)-4-methoxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-trien-10-ol
CID 123299823
(1S,9R,10S,12R)-17-(cyclopropylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,12-diol
CID 118203317
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol
CID 118203341
(9R,10S,12R)-16-(cyclopropylmethyl)-10-hydroxy-4-methoxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carbonyl chloride
CID 129159258
(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-12-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 172680648
(9S,10R)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 129061337
(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-13-pyrrolidin-1-yl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 126497274
(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-12-carbaldehyde
CID 90231113
(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-4-methoxy-N,N-dimethyl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine
CID 126497229
(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-2'-methylidenespiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-4'-one
CID 126490813
N-[(1R,9R,10S,12S)-17-(cyclopropylmethyl)-10,13-dihydroxy-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]-2-methylpropanamide
CID 118203375
[17-(cyclopropylmethyl)-10-hydroxy-4-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-yl] acetate
CID 123593405

Frequently Asked Questions

What is the IUPAC name of (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene?
The IUPAC name of (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene (CID 144696246) is (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene.
What is the SMILES notation for (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene?
The canonical SMILES for (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene is COc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCCNC[C@H](C3)C2.
What is the InChIKey of (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene?
The InChIKey is YYVMMHRZXKSELE-COJDMCMLSA-N. The full InChI is InChI=1S/C24H34N2O/c1-27-20-6-5-19-11-22-24-7-2-9-25-15-18(14-24)13-23(24,21(19)12-20)8-10-26(22)16-17-3-4-17/h5-6,12,17-18,22,25H,2-4,7-11,13-16H2,1H3/t18-,22?,23?,24?/m1/s1.
What are the key properties of (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene?
(3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene has a molecular weight of 366.55 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-20-(cyclopropylmethyl)-15-methoxy-5,20-diazapentacyclo[8.7.3.13,9.01,9.012,17]henicosa-12(17),13,15-triene is sourced from PubChem (CID 144696246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).