(11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid

C25H25NO5 — CID 144643702

IUPAC(11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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(CC(CC5CC5)[C@H]4C1(O)C2)c1ccc(O)cc13
InChIInChI=1S/C25H25NO5/c27-15-3-4-17-18(7-15)24-10-19-13(6-16(22(29)30)21(28)26-19)9-25(24,31)20-14(5-12-1-2-12)8-23(17,20)11-24/h3-4,6-7,12,14,20,27,31H,1-2,5,8-11H2,(H,26,28)(H,29,30)/t14?,20-,23?,24?,25?/m1/s1
InChIKeyQRGMNEQQZMQFJC-MJSMZYDNSA-N
MW419.48 g/mol
LogP2.64
Rot. Bonds3

About (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid

(11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 144643702) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 Name(11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid
PubChem CID144643702
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name(11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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(CC(CC5CC5)[C@H]4C1(O)C2)c1ccc(O)cc13
InChIInChI=1S/C25H25NO5/c27-15-3-4-17-18(7-15)24-10-19-13(6-16(22(29)30)21(28)26-19)9-25(24,31)20-14(5-12-1-2-12)8-23(17,20)11-24/h3-4,6-7,12,14,20,27,31H,1-2,5,8-11H2,(H,26,28)(H,29,30)/t14?,20-,23?,24?,25?/m1/s1
InChIKeyQRGMNEQQZMQFJC-MJSMZYDNSA-N
XLogP2.64
TPSA110.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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

(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
(10S,11R)-6-benzoyl-21-(cyclopropylmethyl)-10,16-dihydroxy-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaen-5-one
CID 90255496
10,18-dihydroxy-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 163795214
21-(cyclopropylmethyl)-16-hydroxy-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 139271649
7-(cyclopropylmethyl)-9a-(5-hydroxy-2-methylphenyl)-6-methyl-2-oxo-5,5a,6,8,9,10-hexahydro-1H-pyrido[3,4-g]quinoline-3-carboxylic acid
CID 123217052
(2S)-2-[[(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-carbonyl]amino]butanediamide
CID 90231069
N-(1-amino-4-methyl-1-oxopentan-2-yl)-7-(cyclopropylmethyl)-5a-hydroxy-9a-(5-hydroxy-2-methylphenyl)-6-methyl-2-oxo-1,5,6,8,9,10-hexahydropyrido[3,4-g]quinoline-3-carboxamide
CID 123866578
(1R,10S,11R)-6-acetyl-10,16-dihydroxy-21-methyl-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaen-5-one
CID 90262254
7-(cyclopropylmethyl)-9a-(5-hydroxy-2-methylphenyl)-5a,6-dimethyl-2-oxo-1,5,6,8,9,10-hexahydropyrido[3,4-g]quinoline-3-carboxamide
CID 144643576
(1S,10R,11S)-6-(benzenesulfonyl)-21-(cyclopropylmethyl)-10,16-dihydroxy-4,21-diazapentacyclo[9.7.3.01,10.03,8.013,18]henicosa-3(8),6,13(18),14,16-pentaen-5-one
CID 134286187
7-(cyclopropylmethyl)-5a-hydroxy-9a-(5-hydroxy-2-methylphenyl)-6-methyl-2-oxo-N-(1-phenylpropan-2-yl)-1,5,6,8,9,10-hexahydropyrido[3,4-g]quinoline-3-carboxamide;formamide
CID 144643714
(2S)-1-[(1R,10S,11R)-12-(cyclopropylmethyl)-10,17-dihydroxy-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-carbonyl]pyrrolidine-2-carboxamide
CID 126489694

Frequently Asked Questions

What is the IUPAC name of (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid (CID 144643702) is (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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(CC(CC5CC5)[C@H]4C1(O)C2)c1ccc(O)cc13.
What is the InChIKey of (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 QRGMNEQQZMQFJC-MJSMZYDNSA-N. The full InChI is InChI=1S/C25H25NO5/c27-15-3-4-17-18(7-15)24-10-19-13(6-16(22(29)30)21(28)26-19)9-25(24,31)20-14(5-12-1-2-12)8-23(17,20)11-24/h3-4,6-7,12,14,20,27,31H,1-2,5,8-11H2,(H,26,28)(H,29,30)/t14?,20-,23?,24?,25?/m1/s1.
What are the key properties of (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[12.6.1.01,10.03,8.011,14.015,20]henicosa-3(8),6,15(20),16,18-pentaene-6-carboxylic acid?
(11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 419.48 g/mol, XLogP of 2.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-12-(cyclopropylmethyl)-10,18-dihydroxy-5-oxo-4-azahexacyclo[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 144643702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).