N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C19H20N4O3S — CID 154633515

IUPACN-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESCNS(=O)(=O)Cc1ccc(-c2cc(N(C=O)C3CC3)nc3[nH]ccc23)cc1
InChIInChI=1S/C19H20N4O3S/c1-20-27(25,26)11-13-2-4-14(5-3-13)17-10-18(23(12-24)15-6-7-15)22-19-16(17)8-9-21-19/h2-5,8-10,12,15,20H,6-7,11H2,1H3,(H,21,22)
InChIKeyYVJSYHOBRPRZAC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.40
Rot. Bonds7

About N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 154633515) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
PubChem CID154633515
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESCNS(=O)(=O)Cc1ccc(-c2cc(N(C=O)C3CC3)nc3[nH]ccc23)cc1
InChIInChI=1S/C19H20N4O3S/c1-20-27(25,26)11-13-2-4-14(5-3-13)17-10-18(23(12-24)15-6-7-15)22-19-16(17)8-9-21-19/h2-5,8-10,12,15,20H,6-7,11H2,1H3,(H,21,22)
InChIKeyYVJSYHOBRPRZAC-UHFFFAOYSA-N
XLogP2.40
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The IUPAC name of N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 154633515) is N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The canonical SMILES for N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is CNS(=O)(=O)Cc1ccc(-c2cc(N(C=O)C3CC3)nc3[nH]ccc23)cc1.
What is the InChIKey of N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The InChIKey is YVJSYHOBRPRZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-20-27(25,26)11-13-2-4-14(5-3-13)17-10-18(23(12-24)15-6-7-15)22-19-16(17)8-9-21-19/h2-5,8-10,12,15,20H,6-7,11H2,1H3,(H,21,22).
What are the key properties of N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 384.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[4-(methylsulfamoylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 154633515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).