(1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene

C19H24N4O — CID 165366822

IUPAC(1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene
SMILESCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCc1nnnn12
InChIInChI=1S/C19H24N4O/c1-19-10-9-15-14-6-4-13(24-2)11-12(14)3-5-16(15)17(19)7-8-18-20-21-22-23(18)19/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChIKeyBJBAWXSLGNUNNL-VXNCWWDNSA-N
MW324.43 g/mol
LogP3.10
Rot. Bonds1

About (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene

(1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene (PubChem CID 165366822) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene.

Molecular Properties

Compound Name(1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene
PubChem CID165366822
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene
SMILESCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCc1nnnn12
InChIInChI=1S/C19H24N4O/c1-19-10-9-15-14-6-4-13(24-2)11-12(14)3-5-16(15)17(19)7-8-18-20-21-22-23(18)19/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChIKeyBJBAWXSLGNUNNL-VXNCWWDNSA-N
XLogP3.10
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene with MolForge

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Related Compounds

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CID 154204484
(Z)-[(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazine
CID 29057021
(13S)-17-ethylidene-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 91039196
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CID 125481159
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(8S,9S,13R,14R,16R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-ol
CID 124936098
(8R,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 15251354
(8R,9S,13S,14S)-3,17,17-trimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 15718548
(8R,9S,13R,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
CID 101233329
(8R,9S,13R,14S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 101235253
(8S,13R,14R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 59912580

Frequently Asked Questions

What is the IUPAC name of (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene?
The IUPAC name of (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene (CID 165366822) is (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene.
What is the SMILES notation for (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene?
The canonical SMILES for (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene is COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCc1nnnn12.
What is the InChIKey of (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene?
The InChIKey is BJBAWXSLGNUNNL-VXNCWWDNSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19-10-9-15-14-6-4-13(24-2)11-12(14)3-5-16(15)17(19)7-8-18-20-21-22-23(18)19/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1.
What are the key properties of (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene?
(1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene has a molecular weight of 324.43 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene is sourced from PubChem (CID 165366822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).