N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

C35H41FN8O7S — CID 123917991

IUPACN-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCc1nc2cccc(F)c2nc1OC1CC2C(=O)NC3(C(=O)NS(=O)(=O)C4CC4)CC3C=CCCCCCC(NC(=O)C3=NCCN=C3)C(=O)N2C1
InChIInChI=1S/C35H41FN8O7S/c1-20-32(41-29-24(36)9-7-11-25(29)39-20)51-22-16-28-31(46)42-35(34(48)43-52(49,50)23-12-13-23)17-21(35)8-5-3-2-4-6-10-26(33(47)44(28)19-22)40-30(45)27-18-37-14-15-38-27/h5,7-9,11,18,21-23,26,28H,2-4,6,10,12-17,19H2,1H3,(H,40,45)(H,42,46)(H,43,48)
InChIKeyYCQPVVYJDQBQJQ-UHFFFAOYSA-N
MW736.83 g/mol
LogP1.44
Rot. Bonds7

About N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (PubChem CID 123917991) has the molecular formula C35H41FN8O7S and a molecular weight of 736.83 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
PubChem CID123917991
Molecular FormulaC35H41FN8O7S
Molecular Weight736.83 g/mol
Exact Mass736.28
IUPAC NameN-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCc1nc2cccc(F)c2nc1OC1CC2C(=O)NC3(C(=O)NS(=O)(=O)C4CC4)CC3C=CCCCCCC(NC(=O)C3=NCCN=C3)C(=O)N2C1
InChIInChI=1S/C35H41FN8O7S/c1-20-32(41-29-24(36)9-7-11-25(29)39-20)51-22-16-28-31(46)42-35(34(48)43-52(49,50)23-12-13-23)17-21(35)8-5-3-2-4-6-10-26(33(47)44(28)19-22)40-30(45)27-18-37-14-15-38-27/h5,7-9,11,18,21-23,26,28H,2-4,6,10,12-17,19H2,1H3,(H,40,45)(H,42,46)(H,43,48)
InChIKeyYCQPVVYJDQBQJQ-UHFFFAOYSA-N
XLogP1.44
TPSA201.48 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.83
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-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

(1S,4R,6S,14S,18R)-N-cyclopropylsulfonyl-14-[(4-fluorobenzoyl)amino]-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 67289757
(1S,4R,7Z,14S,18R)-N-cyclopropylsulfonyl-14-[(2-fluorobenzoyl)amino]-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 140643542
(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-14-[(3-fluoropyridine-4-carbonyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 67289465
(7Z)-N-cyclopropylsulfonyl-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-14-[(5-methylpyrazine-2-carbonyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 140643580
N-cyclopropylsulfonyl-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-14-[(2-methylpyrazole-3-carbonyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 77260573
(7Z)-N-cyclopropylsulfonyl-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-14-(pyrazine-2-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 140643574
(1S,4R,6S,14S,18R)-N-cyclopropylsulfonyl-14-[(1,5-dimethylpyrazole-3-carbonyl)amino]-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 67289692
5-cyclopropyl-N-[(1S,4R,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,2-oxazole-3-carboxamide
CID 140643546
[(1S,4R,6S,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(3-ethyl-8-fluoroquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamic acid
CID 123230527
tert-butyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(3-ethyl-8-fluoroquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
CID 67289529
(1S,4R,6S,14S,18R)-14-[(1,5-dimethylpyrazole-3-carbonyl)amino]-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 67290786
N-[(1S,4R,7Z,14S,18R)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-4-carboxamide
CID 140655201

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (CID 123917991) is N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is Cc1nc2cccc(F)c2nc1OC1CC2C(=O)NC3(C(=O)NS(=O)(=O)C4CC4)CC3C=CCCCCCC(NC(=O)C3=NCCN=C3)C(=O)N2C1.
What is the InChIKey of N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The InChIKey is YCQPVVYJDQBQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN8O7S/c1-20-32(41-29-24(36)9-7-11-25(29)39-20)51-22-16-28-31(46)42-35(34(48)43-52(49,50)23-12-13-23)17-21(35)8-5-3-2-4-6-10-26(33(47)44(28)19-22)40-30(45)27-18-37-14-15-38-27/h5,7-9,11,18,21-23,26,28H,2-4,6,10,12-17,19H2,1H3,(H,40,45)(H,42,46)(H,43,48).
What are the key properties of N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide has a molecular weight of 736.83 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-14-(2,3-dihydropyrazine-5-carbonylamino)-18-(8-fluoro-3-methylquinoxalin-2-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is sourced from PubChem (CID 123917991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).