19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

C22H16N4O4 — CID 170279306

IUPAC19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
SMILESCn1cc(-c2c3c(nc4ccccc24)-c2cc4c(c(=O)n2C3)COC(=O)C4O)cn1
InChIInChI=1S/C22H16N4O4/c1-25-8-11(7-23-25)18-12-4-2-3-5-16(12)24-19-14(18)9-26-17(19)6-13-15(21(26)28)10-30-22(29)20(13)27/h2-8,20,27H,9-10H2,1H3
InChIKeyXQUZUCNNWQUFKH-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.92
Rot. Bonds1

About 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (PubChem CID 170279306) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.

Molecular Properties

Compound Name19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
PubChem CID170279306
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
SMILESCn1cc(-c2c3c(nc4ccccc24)-c2cc4c(c(=O)n2C3)COC(=O)C4O)cn1
InChIInChI=1S/C22H16N4O4/c1-25-8-11(7-23-25)18-12-4-2-3-5-16(12)24-19-14(18)9-26-17(19)6-13-15(21(26)28)10-30-22(29)20(13)27/h2-8,20,27H,9-10H2,1H3
InChIKeyXQUZUCNNWQUFKH-UHFFFAOYSA-N
XLogP1.92
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione with MolForge

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Related Compounds

10-(4-aminophenyl)-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 170275349
19-hydroxy-10-(1H-pyrazol-5-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 170287822
(19S)-19-hydroxy-10-[(E)-3-hydroxyprop-1-enyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 170276751
19-hydroxy-8-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 143551410
ethane;10-[2-[ethyl(dimethyl)-λ4-sulfanyl]ethyl]-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;methane
CID 143793830
N-[2-[(19S)-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl]-N-propan-2-ylbenzamide
CID 155036415
(19S)-10-[4-(ethylamino)but-1-ynyl]-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 170276916
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
ethane;5-hydroxy-14-methyl-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 153373476
[(19S)-10-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] acetate
CID 171621945
10-(3-aminophenyl)-7-ethoxy-19-hydroxy-6-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 170282116
14-cyclopropyl-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;ethane
CID 153373446

Frequently Asked Questions

What is the IUPAC name of 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?
The IUPAC name of 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (CID 170279306) is 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.
What is the SMILES notation for 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?
The canonical SMILES for 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is Cn1cc(-c2c3c(nc4ccccc24)-c2cc4c(c(=O)n2C3)COC(=O)C4O)cn1.
What is the InChIKey of 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?
The InChIKey is XQUZUCNNWQUFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c1-25-8-11(7-23-25)18-12-4-2-3-5-16(12)24-19-14(18)9-26-17(19)6-13-15(21(26)28)10-30-22(29)20(13)27/h2-8,20,27H,9-10H2,1H3.
What are the key properties of 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?
19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione has a molecular weight of 400.39 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxy-10-(1-methylpyrazol-4-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 170279306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).