N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide

C23H22N4O3S — CID 170793061

IUPACN-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cc2cc(-n3c(=O)[nH]c4sc5c(c4c3=O)CCCCC5)ccc2[nH]1
InChIInChI=1S/C23H22N4O3S/c28-20(24-13-6-7-13)17-11-12-10-14(8-9-16(12)25-17)27-22(29)19-15-4-2-1-3-5-18(15)31-21(19)26-23(27)30/h8-11,13,25H,1-7H2,(H,24,28)(H,26,30)
InChIKeyBEEIWEORCYUARD-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.38
Rot. Bonds3

About N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide

N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide (PubChem CID 170793061) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide
PubChem CID170793061
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cc2cc(-n3c(=O)[nH]c4sc5c(c4c3=O)CCCCC5)ccc2[nH]1
InChIInChI=1S/C23H22N4O3S/c28-20(24-13-6-7-13)17-11-12-10-14(8-9-16(12)25-17)27-22(29)19-15-4-2-1-3-5-18(15)31-21(19)26-23(27)30/h8-11,13,25H,1-7H2,(H,24,28)(H,26,30)
InChIKeyBEEIWEORCYUARD-UHFFFAOYSA-N
XLogP3.38
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide (CID 170793061) is N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide is O=C(NC1CC1)c1cc2cc(-n3c(=O)[nH]c4sc5c(c4c3=O)CCCCC5)ccc2[nH]1.
What is the InChIKey of N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide?
The InChIKey is BEEIWEORCYUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c28-20(24-13-6-7-13)17-11-12-10-14(8-9-16(12)25-17)27-22(29)19-15-4-2-1-3-5-18(15)31-21(19)26-23(27)30/h8-11,13,25H,1-7H2,(H,24,28)(H,26,30).
What are the key properties of N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide?
N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 170793061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).