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

C42H46N6O6S — CID 57953739

IUPAC13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCC1=C(C=CN=C1)N2C(=C(C=N2)C(=O)N3CCOCC3)C4=CC5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)C(C)C)C8CCCCC8
InChIInChI=1S/C42H46N6O6S/c1-26(2)55(51,52)45-41(49)29-10-12-34-37(22-29)47-25-31(20-30-21-32(53-4)11-13-33(30)40(47)38(34)28-8-6-5-7-9-28)39-35(42(50)46-16-18-54-19-17-46)24-44-48(39)36-14-15-43-23-27(36)3/h10-15,20-24,26,28H,5-9,16-19,25H2,1-4H3,(H,45,49)
InChIKeyOWKYSIRQTIOXPH-UHFFFAOYSA-N
MW762.90 g/mol
LogP5.80
Rot. Bonds8

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

13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 57953739) has the molecular formula C42H46N6O6S and a molecular weight of 762.90 g/mol. Its IUPAC name is 13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

Compound Name13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
PubChem CID57953739
Molecular FormulaC42H46N6O6S
Molecular Weight762.90 g/mol
Exact Mass762.32
IUPAC Name13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
SMILESCC1=C(C=CN=C1)N2C(=C(C=N2)C(=O)N3CCOCC3)C4=CC5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)C(C)C)C8CCCCC8
InChIInChI=1S/C42H46N6O6S/c1-26(2)55(51,52)45-41(49)29-10-12-34-37(22-29)47-25-31(20-30-21-32(53-4)11-13-33(30)40(47)38(34)28-8-6-5-7-9-28)39-35(42(50)46-16-18-54-19-17-46)24-44-48(39)36-14-15-43-23-27(36)3/h10-15,20-24,26,28H,5-9,16-19,25H2,1-4H3,(H,45,49)
InChIKeyOWKYSIRQTIOXPH-UHFFFAOYSA-N
XLogP5.80
TPSA146.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms55
Complexity1510

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.90
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

Tmc-647055
CID 44556044
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16072787
13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(3-oxabicyclo[3.3.1]nonane-9-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 156012164
28-Cyclohexyl-22-methoxy-10,16,19-trimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
CID 44608286
13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 58676993
US12473304, Example 211
CID 156828946
US12473304, Example 223
CID 156829147
US12473304, Example 216
CID 156829493
US12473304, Example 213
CID 156829494
US12473304, Example 224
CID 156829539
US12473304, Example 212
CID 156829955
13-cyclohexyl-3-methoxy-6-[4-(morpholine-4-carbonyl)-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 25210945

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)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-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide (CID 57953739) is 13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)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-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)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-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is CC1=C(C=CN=C1)N2C(=C(C=N2)C(=O)N3CCOCC3)C4=CC5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)C(C)C)C8CCCCC8.
What is the InChIKey of 13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
The InChIKey is OWKYSIRQTIOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N6O6S/c1-26(2)55(51,52)45-41(49)29-10-12-34-37(22-29)47-25-31(20-30-21-32(53-4)11-13-33(30)40(47)38(34)28-8-6-5-7-9-28)39-35(42(50)46-16-18-54-19-17-46)24-44-48(39)36-14-15-43-23-27(36)3/h10-15,20-24,26,28H,5-9,16-19,25H2,1-4H3,(H,45,49).
What are the key properties of 13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide?
13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 762.90 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-3-methoxy-6-[1-(3-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 57953739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).