24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane

C28H37N7O — CID 159103116

IUPAC24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane
SMILESC.CCN1CCNC(=O)C2CCCN2Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C1
InChIInChI=1S/C27H33N7O.CH4/c1-2-33-13-11-28-27(35)24-10-5-12-34(24)18-21-7-4-9-23(15-21)32-26-16-25(29-19-30-26)31-22-8-3-6-20(14-22)17-33;/h3-4,6-9,14-16,19,24H,2,5,10-13,17-18H2,1H3,(H,28,35)(H2,29,30,31,32);1H4
InChIKeyKDNNUMUMKDEOCA-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.52
Rot. Bonds1

About 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane

24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane (PubChem CID 159103116) has the molecular formula C28H37N7O and a molecular weight of 487.65 g/mol. Its IUPAC name is 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane.

Molecular Properties

Compound Name24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane
PubChem CID159103116
Molecular FormulaC28H37N7O
Molecular Weight487.65 g/mol
Exact Mass487.31
IUPAC Name24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane
SMILESC.CCN1CCNC(=O)C2CCCN2Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C1
InChIInChI=1S/C27H33N7O.CH4/c1-2-33-13-11-28-27(35)24-10-5-12-34(24)18-21-7-4-9-23(15-21)32-26-16-25(29-19-30-26)31-22-8-3-6-20(14-22)17-33;/h3-4,6-9,14-16,19,24H,2,5,10-13,17-18H2,1H3,(H,28,35)(H2,29,30,31,32);1H4
InChIKeyKDNNUMUMKDEOCA-UHFFFAOYSA-N
XLogP4.52
TPSA85.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane 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

21-ethyl-1,8,10,12,14,21,24,27-octazapentacyclo[25.2.2.13,7.19,13.115,19]tetratriaconta-3(34),4,6,9(33),10,12,15,17,19(32)-nonaen-25-one
CID 59375827
(19S,22S)-22-(2-methylpropyl)-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaene-20,23-dione
CID 59375707
(19S,22R)-29-methoxy-22-(methylsulfanylmethyl)-27-oxa-2,4,6,8,15,21,24-heptazapentacyclo[26.3.1.13,7.19,13.015,19]tetratriaconta-1(32),3,5,7(34),9,11,13(33),28,30-nonaene-20,23-dione
CID 143239587
15-ethyl-25-oxa-2,4,6,8,15,20-hexazatetracyclo[24.2.2.13,7.19,13]dotriaconta-1(28),3(32),4,6,9,11,13(31),26,29-nonaen-19-one
CID 59375917
(18S)-24-methyl-5,7,14,20,24,32-hexazapentacyclo[24.2.2.12,6.18,12.014,18]dotriaconta-1(29),2(32),3,5,8,10,12(31),26(30),27-nonaen-19-one
CID 70804620
28-butan-2-yl-10-methyl-26-oxa-2,4,6,8,15,22-hexazapentacyclo[25.3.1.13,7.19,13.015,20]tritriaconta-1(31),3(33),4,6,9,11,13(32),27,29-nonaen-21-one
CID 143239578
3,5,7,15,21,26,31-heptazapentacyclo[23.3.1.12,6.18,12.017,21]hentriaconta-1(29),2(31),3,5,8,10,12(30),25,27-nonaen-16-one
CID 59475700
24-methyl-1,10,12,14,22,25,28-heptazapentacyclo[26.2.2.13,7.19,13.115,19]pentatriaconta-3,5,7(35),9(34),10,12,15,17,19(33)-nonaene-23,26-dione
CID 160713796
10-chloro-28-methoxy-26-oxa-2,4,6,15,22-pentazapentacyclo[25.3.1.13,7.19,13.015,20]tritriaconta-1(31),3,5,7(33),9,11,13(32),27,29-nonaen-21-one
CID 162144208
14-ethyl-3,5,7,14,17,27-hexazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),21(25),22-nonaen-16-one
CID 59148950
17-hydroxy-2,4,6,8,15,21-hexazapentacyclo[21.3.1.13,7.19,13.015,19]nonacosa-1(26),3(29),4,6,9,11,13(28),23(27),24-nonaene-14,20-dione
CID 59375727
(18S)-15-butyl-18-(2-methylsulfanylethyl)-2,4,6,8,15,17,20-heptazatetracyclo[20.3.1.13,7.19,13]octacosa-1(25),3(28),4,6,9,11,13(27),22(26),23-nonaene-16,19-dione
CID 143239554

Frequently Asked Questions

What is the IUPAC name of 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane?
The IUPAC name of 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane (CID 159103116) is 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane.
What is the SMILES notation for 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane?
The canonical SMILES for 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane is C.CCN1CCNC(=O)C2CCCN2Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C1.
What is the InChIKey of 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane?
The InChIKey is KDNNUMUMKDEOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.CH4/c1-2-33-13-11-28-27(35)24-10-5-12-34(24)18-21-7-4-9-23(15-21)32-26-16-25(29-19-30-26)31-22-8-3-6-20(14-22)17-33;/h3-4,6-9,14-16,19,24H,2,5,10-13,17-18H2,1H3,(H,28,35)(H2,29,30,31,32);1H4.
What are the key properties of 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane?
24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane has a molecular weight of 487.65 g/mol, XLogP of 4.52, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 24-ethyl-2,4,6,8,15,21,24-heptazapentacyclo[24.3.1.13,7.19,13.015,19]dotriaconta-1(29),3(32),4,6,9,11,13(31),26(30),27-nonaen-20-one;methane is sourced from PubChem (CID 159103116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).