19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C34H42N4O3 — CID 143589971

IUPAC19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1cccc2c1C1CC1(C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21
InChIInChI=1S/C34H42N4O3/c1-20-17-37(18-21(2)36(20)3)33(40)34-16-26(34)30-25(11-8-12-28(30)41-4)31-29(22-9-6-5-7-10-22)24-14-13-23(32(35)39)15-27(24)38(31)19-34/h8,11-15,20-22,26H,5-7,9-10,16-19H2,1-4H3,(H2,35,39)/t20-,21+,26?,34?
InChIKeyRVRMFBIWXWMHMN-VOCXHNAFSA-N
MW554.74 g/mol
LogP5.50
Rot. Bonds4

About 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 143589971) has the molecular formula C34H42N4O3 and a molecular weight of 554.74 g/mol. Its IUPAC name is 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID143589971
Molecular FormulaC34H42N4O3
Molecular Weight554.74 g/mol
Exact Mass554.33
IUPAC Name19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1cccc2c1C1CC1(C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21
InChIInChI=1S/C34H42N4O3/c1-20-17-37(18-21(2)36(20)3)33(40)34-16-26(34)30-25(11-8-12-28(30)41-4)31-29(22-9-6-5-7-10-22)24-14-13-23(32(35)39)15-27(24)38(31)19-34/h8,11-15,20-22,26H,5-7,9-10,16-19H2,1-4H3,(H2,35,39)/t20-,21+,26?,34?
InChIKeyRVRMFBIWXWMHMN-VOCXHNAFSA-N
XLogP5.50
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S,10R)-19-cyclohexyl-6-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid
CID 25018829
methyl (8S,10R)-19-cyclohexyl-6-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylate
CID 25018830
19-cyclohexyl-5-methoxy-N-propan-2-ylsulfonyl-10-(3,4,5-trimethylpiperazine-1-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 74079067
13-cyclohexyl-3-methoxy-6-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143589976
19-cyclohexyl-10-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-(2,2,2-trifluoroethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylic acid
CID 24738702
10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium
CID 145476130
19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
CID 145476260
dimethyl (10R)-19-cyclohexyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-10,15-dicarboxylate
CID 102125984
19-cyclohexyl-5-methoxy-10-(4-methyl-1,4-diazepane-1-carbonyl)-N-sulfinamoyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 145474996
19-cyclohexyl-5-methoxy-10-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25019519
methyl 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-methyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxylate
CID 58677123
dimethyl 13-cyclohexyl-4-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxylate
CID 59682114

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 143589971) is 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is COc1cccc2c1C1CC1(C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21.
What is the InChIKey of 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is RVRMFBIWXWMHMN-VOCXHNAFSA-N. The full InChI is InChI=1S/C34H42N4O3/c1-20-17-37(18-21(2)36(20)3)33(40)34-16-26(34)30-25(11-8-12-28(30)41-4)31-29(22-9-6-5-7-10-22)24-14-13-23(32(35)39)15-27(24)38(31)19-34/h8,11-15,20-22,26H,5-7,9-10,16-19H2,1-4H3,(H2,35,39)/t20-,21+,26?,34?.
What are the key properties of 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 554.74 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-6-methoxy-10-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 143589971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).