13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

C40H46F3N5O7S — CID 25211230

IUPAC13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCOC[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(C)c2C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n3C2)CCO1
InChIInChI=1S/C40H46F3N5O7S/c1-23(2)56(51,52)45-38(49)25-11-13-31-32(19-25)48-20-27(17-26-18-28(54-5)12-14-30(26)36(48)33(31)24-9-7-6-8-10-24)35-34(37(40(41,42)43)44-46(35)3)39(50)47-15-16-55-29(21-47)22-53-4/h11-14,17-19,23-24,29H,6-10,15-16,20-22H2,1-5H3,(H,45,49)/t29-/m0/s1
InChIKeyVLSSPBFNOYFMKB-LJAQVGFWSA-N
MW797.90 g/mol
LogP6.63
Rot. Bonds9

About 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 25211230) has the molecular formula C40H46F3N5O7S and a molecular weight of 797.90 g/mol. Its IUPAC name is 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

Compound Name13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
PubChem CID25211230
Molecular FormulaC40H46F3N5O7S
Molecular Weight797.90 g/mol
Exact Mass797.31
IUPAC Name13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCOC[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(C)c2C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n3C2)CCO1
InChIInChI=1S/C40H46F3N5O7S/c1-23(2)56(51,52)45-38(49)25-11-13-31-32(19-25)48-20-27(17-26-18-28(54-5)12-14-30(26)36(48)33(31)24-9-7-6-8-10-24)35-34(37(40(41,42)43)44-46(35)3)39(50)47-15-16-55-29(21-47)22-53-4/h11-14,17-19,23-24,29H,6-10,15-16,20-22H2,1-5H3,(H,45,49)/t29-/m0/s1
InChIKeyVLSSPBFNOYFMKB-LJAQVGFWSA-N
XLogP6.63
TPSA133.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.90
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-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 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The IUPAC name of 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 25211230) is 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.
What is the SMILES notation for 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The canonical SMILES for 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is COC[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(C)c2C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n3C2)CCO1.
What is the InChIKey of 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The InChIKey is VLSSPBFNOYFMKB-LJAQVGFWSA-N. The full InChI is InChI=1S/C40H46F3N5O7S/c1-23(2)56(51,52)45-38(49)25-11-13-31-32(19-25)48-20-27(17-26-18-28(54-5)12-14-30(26)36(48)33(31)24-9-7-6-8-10-24)35-34(37(40(41,42)43)44-46(35)3)39(50)47-15-16-55-29(21-47)22-53-4/h11-14,17-19,23-24,29H,6-10,15-16,20-22H2,1-5H3,(H,45,49)/t29-/m0/s1.
What are the key properties of 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 797.90 g/mol, XLogP of 6.63, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-3-methoxy-6-[4-[(2S)-2-(methoxymethyl)morpholine-4-carbonyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 25211230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).