11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide

C25H24N4O2S — CID 24798265

IUPAC11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide
SMILESCn1c2cc3ccccc3cc2n2c3sccc3c(=O)c(C(=O)NCCN3CCCC3)c12
InChIInChI=1S/C25H24N4O2S/c1-27-19-14-16-6-2-3-7-17(16)15-20(19)29-24(27)21(22(30)18-8-13-32-25(18)29)23(31)26-9-12-28-10-4-5-11-28/h2-3,6-8,13-15H,4-5,9-12H2,1H3,(H,26,31)
InChIKeySPZJDLWYVNRWRJ-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.98
Rot. Bonds4

About 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide

11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide (PubChem CID 24798265) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide.

Molecular Properties

Compound Name11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide
PubChem CID24798265
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide
SMILESCn1c2cc3ccccc3cc2n2c3sccc3c(=O)c(C(=O)NCCN3CCCC3)c12
InChIInChI=1S/C25H24N4O2S/c1-27-19-14-16-6-2-3-7-17(16)15-20(19)29-24(27)21(22(30)18-8-13-32-25(18)29)23(31)26-9-12-28-10-4-5-11-28/h2-3,6-8,13-15H,4-5,9-12H2,1H3,(H,26,31)
InChIKeySPZJDLWYVNRWRJ-UHFFFAOYSA-N
XLogP3.98
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide with MolForge

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Related Compounds

5-(3-hydroxypyrrolidin-1-yl)-12-methyl-9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,4,12-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3(8),4,6,10,13,15,17,19-nonaene-10-carboxamide
CID 146563553
3-fluoro-7-methyl-5-oxo-2-(3-oxopiperazin-1-yl)-N-(2-piperidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 59516502
7-methyl-5-oxo-2-(4-prop-1-en-2-ylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 58614598
2-(4-acetylpiperazin-1-yl)-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;2-chloro-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 158773611
potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate
CID 42615921
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 53378357
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
12-methyl-5-(methylamino)-10-(2-pyrrolidin-1-ylethylamino)-2,4,12-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3(8),4,6,10,13,15,17,19-nonaen-9-one
CID 146563599
2-[4-(3-hydrazinylbenzoyl)piperazin-1-yl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 122692086
2-[2-[(E)-3-cyanoprop-1-enyl]phenyl]-7-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 53378250
ethane;5-oxo-N-(2-pyrrolidin-1-ylethyl)-2-(2-pyrrolidin-1-ylethylamino)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 143205190
6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7215376

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide?
The IUPAC name of 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide (CID 24798265) is 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide.
What is the SMILES notation for 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide?
The canonical SMILES for 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide is Cn1c2cc3ccccc3cc2n2c3sccc3c(=O)c(C(=O)NCCN3CCCC3)c12.
What is the InChIKey of 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide?
The InChIKey is SPZJDLWYVNRWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-27-19-14-16-6-2-3-7-17(16)15-20(19)29-24(27)21(22(30)18-8-13-32-25(18)29)23(31)26-9-12-28-10-4-5-11-28/h2-3,6-8,13-15H,4-5,9-12H2,1H3,(H,26,31).
What are the key properties of 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide?
11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-oxo-N-(2-pyrrolidin-1-ylethyl)-4-thia-2,11-diazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,9,12,14,16,18-octaene-9-carboxamide is sourced from PubChem (CID 24798265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).