(1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide

C24H27N3O3 — CID 123391204

IUPAC(1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2
InChIInChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1
InChIKeyVLOXZPHCPUPDBK-DNQXCXABSA-N
MW405.50 g/mol
LogP1.87
Rot. Bonds3

About (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide

(1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide (PubChem CID 123391204) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide.

Molecular Properties

Compound Name(1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide
PubChem CID123391204
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2
InChIInChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1
InChIKeyVLOXZPHCPUPDBK-DNQXCXABSA-N
XLogP1.87
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide with MolForge

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Related Compounds

11-(cyclopropylmethyl)-4-hydroxy-N-(2-phenylethyl)-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
CID 70685365
11-(cyclopropylmethyl)-4-hydroxy-N-phenyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
CID 70689558
N-benzyl-11-(cyclopropylmethyl)-4-hydroxy-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2(7),3,5,15-tetraene-16-carboxamide
CID 70693767
(1R,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-4,7,11(16),12,14-pentaene-5-carboxamide
CID 127053759
7-(2-Fluoroethyl)-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 123589912
N-(4-amino-4-oxobutan-2-yl)-6'-[1-[cyclopropylmethyl(fluoro)amino]ethyl]-5,6'-dihydroxy-2'-oxospiro[1,2-dihydroindene-3,7'-5,8-dihydro-1H-quinoline]-3'-carboxamide
CID 126489606
(5aS,6R,9aR)-7-(2-fluoroethyl)-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 126489621
methyl (1S,10R)-19-(cyclopropylmethyl)-13-methoxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxylate
CID 137662350
(1S,10R)-19-(cyclopropylmethyl)-13-methoxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide
CID 137662352
(5aR,6R,9aS)-N-[(2S)-1-amino-1-oxopropan-2-yl]-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-carboxamide
CID 90231082
(1S,10R,11S)-12-(cyclopropylmethyl)-1-(5-hydroxy-2-methylphenyl)-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
CID 90231086
(1S,10R,11S)-N-cyclohexyl-12-(cyclopropylmethyl)-1-(5-hydroxy-2-methylphenyl)-N-methyl-5-oxo-4,12-diazatetracyclo[8.5.0.03,8.011,14]pentadeca-3(8),6-diene-6-carboxamide
CID 90231286

Frequently Asked Questions

What is the IUPAC name of (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
The IUPAC name of (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide (CID 123391204) is (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide.
What is the SMILES notation for (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
The canonical SMILES for (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide is NC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2.
What is the InChIKey of (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
The InChIKey is VLOXZPHCPUPDBK-DNQXCXABSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1.
What are the key properties of (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide?
(1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-19-(cyclopropylmethyl)-13-hydroxy-6-oxo-7,19-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3(8),4,11(16),12,14-pentaene-5-carboxamide is sourced from PubChem (CID 123391204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).