12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid

C24H24N2O5 — CID 123918463

IUPAC12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CC13CC4(CN(CC5CC5)C4C1(O)C2)c1ccc(O)cc13
InChIInChI=1S/C24H24N2O5/c27-14-3-4-16-17(6-14)23-8-18-13(5-15(20(29)30)19(28)25-18)7-24(23,31)21-22(16,10-23)11-26(21)9-12-1-2-12/h3-6,12,21,27,31H,1-2,7-11H2,(H,25,28)(H,29,30)
InChIKeyIANJZEHATQXAHN-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.30
Rot. Bonds3

About 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid

12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid (PubChem CID 123918463) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid.

Molecular Properties

Compound Name12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid
PubChem CID123918463
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CC13CC4(CN(CC5CC5)C4C1(O)C2)c1ccc(O)cc13
InChIInChI=1S/C24H24N2O5/c27-14-3-4-16-17(6-14)23-8-18-13(5-15(20(29)30)19(28)25-18)7-24(23,31)21-22(16,10-23)11-26(21)9-12-1-2-12/h3-6,12,21,27,31H,1-2,7-11H2,(H,25,28)(H,29,30)
InChIKeyIANJZEHATQXAHN-UHFFFAOYSA-N
XLogP1.30
TPSA113.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid with MolForge

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Related Compounds

12-(2-Fluoroethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
CID 123293316
12-(2-Fluoroethyl)-5,10,18-trihydroxy-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3,7,15(20),16,18-pentaene-6-carboxamide
CID 123435157
10,18-Dihydroxy-5-oxo-12-(2,2,2-trifluoroethyl)-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
CID 123975617
(10S,11R)-10,18-dihydroxy-5-oxo-12-(2,2,2-trifluoroethyl)-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
CID 126489619
(1R,10S,11R)-10,18-dihydroxy-5-oxo-12-(2,2,2-trifluoroethyl)-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
CID 126489858
(1R,10S,11R)-12-(2-fluoroethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
CID 126489859
(1R,10S,11R)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-N,N,12-trimethyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
CID 90231114
(1R,10S,11R)-21-(cyclopropylmethyl)-10,16-dihydroxy-5-oxo-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaene-6-carboxylic acid
CID 90231267
(1R,11R)-10,17-dihydroxy-4,12-dimethyl-5-oxo-4,12-diazahexacyclo[9.8.2.01,10.03,8.013,21.014,19]henicosa-3(8),6,14(19),15,17-pentaene-6-carboxamide
CID 90231278
(1R,10S,11R)-N-(cyclohexylmethyl)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-12-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
CID 90231298
(1R,10S,11R)-10,18-dihydroxy-12-methyl-N-(3-methylbutyl)-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxamide
CID 90231306
(1R,10S,11R)-10-hydroxy-1-(5-hydroxy-2-methylphenyl)-5-oxo-12-(2-phenylethyl)-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
CID 90231330

Frequently Asked Questions

What is the IUPAC name of 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid?
The IUPAC name of 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid (CID 123918463) is 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid.
What is the SMILES notation for 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid?
The canonical SMILES for 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid is O=C(O)c1cc2c([nH]c1=O)CC13CC4(CN(CC5CC5)C4C1(O)C2)c1ccc(O)cc13.
What is the InChIKey of 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid?
The InChIKey is IANJZEHATQXAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c27-14-3-4-16-17(6-14)23-8-18-13(5-15(20(29)30)19(28)25-18)7-24(23,31)21-22(16,10-23)11-26(21)9-12-1-2-12/h3-6,12,21,27,31H,1-2,7-11H2,(H,25,28)(H,29,30).
What are the key properties of 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid?
12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid has a molecular weight of 420.47 g/mol, XLogP of 1.30, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4,12-diazahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid is sourced from PubChem (CID 123918463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).