10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

C26H30N6O4 — CID 172620083

IUPAC10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
SMILESCc1cc2nc3c(c(CN(N)/C=C(\N)CCCN)c2cc1C)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C26H30N6O4/c1-13-6-16-18(10-31(29)9-15(28)4-3-5-27)19-11-32-22(23(19)30-21(16)7-14(13)2)8-17-20(25(32)34)12-36-26(35)24(17)33/h6-9,24,33H,3-5,10-12,27-29H2,1-2H3/b15-9-
InChIKeyZTGYVAMZCHNVAR-DHDCSXOGSA-N
MW490.56 g/mol
LogP1.35
Rot. Bonds6

About 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione (PubChem CID 172620083) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione.

Molecular Properties

Compound Name10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
PubChem CID172620083
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
SMILESCc1cc2nc3c(c(CN(N)/C=C(\N)CCCN)c2cc1C)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C26H30N6O4/c1-13-6-16-18(10-31(29)9-15(28)4-3-5-27)19-11-32-22(23(19)30-21(16)7-14(13)2)8-17-20(25(32)34)12-36-26(35)24(17)33/h6-9,24,33H,3-5,10-12,27-29H2,1-2H3/b15-9-
InChIKeyZTGYVAMZCHNVAR-DHDCSXOGSA-N
XLogP1.35
TPSA162.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione with MolForge

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Related Compounds

10-[[amino-[(Z)-2-amino-2-(3-aminophenyl)ethenyl]amino]methyl]-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;ethane
CID 172620143
(19S)-10-(4-aminobutyl)-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 170276776
10-[[amino-[(Z)-2-amino-3-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]prop-1-enyl]amino]methyl]-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;ethane
CID 172619944
6-fluoro-19-hydroxy-10-(4-hydroxybutyl)-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 155715035
N-[[1-[(Z)-2-amino-3-[amino-[(6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]amino]prop-2-enyl]piperidin-2-yl]methoxymethyl]-2-(methylamino)acetamide
CID 172620165
(19S)-10-[(3R)-3-aminobutyl]-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 170276785
6-fluoro-19-hydroxy-7-methyl-10-[2-(methylamino)ethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 170276811
9H-fluoren-9-ylmethyl N-[2-[[(Z)-3-amino-4-[amino-[(6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl)methyl]amino]-2-methylbut-3-en-2-yl]amino]-2-oxoethyl]carbamate
CID 172620150
(19S)-6-fluoro-19-hydroxy-7-methyl-10-[2-(propylamino)ethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 170276838
(19S)-7-amino-10-butyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 166138708
14-(3-chloropropyl)-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
CID 167175256
7-chloro-10-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 144894516

Frequently Asked Questions

What is the IUPAC name of 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
The IUPAC name of 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione (CID 172620083) is 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione.
What is the SMILES notation for 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
The canonical SMILES for 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione is Cc1cc2nc3c(c(CN(N)/C=C(\N)CCCN)c2cc1C)Cn1c-3cc2c(c1=O)COC(=O)C2O.
What is the InChIKey of 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
The InChIKey is ZTGYVAMZCHNVAR-DHDCSXOGSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-13-6-16-18(10-31(29)9-15(28)4-3-5-27)19-11-32-22(23(19)30-21(16)7-14(13)2)8-17-20(25(32)34)12-36-26(35)24(17)33/h6-9,24,33H,3-5,10-12,27-29H2,1-2H3/b15-9-.
What are the key properties of 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?
10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione has a molecular weight of 490.56 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[amino-[(Z)-2,5-diaminopent-1-enyl]amino]methyl]-19-hydroxy-6,7-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 172620083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).