N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide

C34H29N5O4S — CID 118537509

IUPACN-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccnc3c2cc(-c2ccc(N4CCOCC4)cc2)n3S(=O)(=O)c2ccccc2)ccc1NC(=O)C1CC1
InChIInChI=1S/C34H29N5O4S/c35-22-26-20-25(10-13-31(26)37-34(40)24-6-7-24)29-14-15-36-33-30(29)21-32(39(33)44(41,42)28-4-2-1-3-5-28)23-8-11-27(12-9-23)38-16-18-43-19-17-38/h1-5,8-15,20-21,24H,6-7,16-19H2,(H,37,40)
InChIKeyUZIKOLPAFNGHGZ-UHFFFAOYSA-N
MW603.70 g/mol
LogP5.66
Rot. Bonds7

About N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide

N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide (PubChem CID 118537509) has the molecular formula C34H29N5O4S and a molecular weight of 603.70 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide
PubChem CID118537509
Molecular FormulaC34H29N5O4S
Molecular Weight603.70 g/mol
Exact Mass603.19
IUPAC NameN-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccnc3c2cc(-c2ccc(N4CCOCC4)cc2)n3S(=O)(=O)c2ccccc2)ccc1NC(=O)C1CC1
InChIInChI=1S/C34H29N5O4S/c35-22-26-20-25(10-13-31(26)37-34(40)24-6-7-24)29-14-15-36-33-30(29)21-32(39(33)44(41,42)28-4-2-1-3-5-28)23-8-11-27(12-9-23)38-16-18-43-19-17-38/h1-5,8-15,20-21,24H,6-7,16-19H2,(H,37,40)
InChIKeyUZIKOLPAFNGHGZ-UHFFFAOYSA-N
XLogP5.66
TPSA117.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.70
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide 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

US10072001, Example 32
CID 118537480
US10072001, Example 192
CID 118537693
US10072001, Example 13
CID 118537778
US11524968, Example 21
CID 138560771
US11524968, Example 40
CID 138560982
US11524968, Example 59
CID 138561702
US11524968, Example 197
CID 138561809
2-fluoro-5-(2-(4-morpholinophenyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 118537454
4-[5-[5-(Azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
CID 25071531
4-[3-[5-(Azetidin-3-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
CID 25071843
N-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]benzenesulfonamide
CID 44218985
N-[4-[6-(benzenesulfonylmethyl)-4-phenyl-9H-pyrido[2,3-b]indol-3-yl]phenyl]-N-methyl-3-morpholin-4-ylpropane-1-sulfonamide
CID 58790526

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide (CID 118537509) is N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide is N#Cc1cc(-c2ccnc3c2cc(-c2ccc(N4CCOCC4)cc2)n3S(=O)(=O)c2ccccc2)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide?
The InChIKey is UZIKOLPAFNGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O4S/c35-22-26-20-25(10-13-31(26)37-34(40)24-6-7-24)29-14-15-36-33-30(29)21-32(39(33)44(41,42)28-4-2-1-3-5-28)23-8-11-27(12-9-23)38-16-18-43-19-17-38/h1-5,8-15,20-21,24H,6-7,16-19H2,(H,37,40).
What are the key properties of N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide?
N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide has a molecular weight of 603.70 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-cyanophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 118537509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).