N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C20H21FN4O3S — CID 138560848

IUPACN-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(NS(=O)(=O)CCCF)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C20H21FN4O3S/c21-9-1-11-29(27,28)25-15-6-4-13(5-7-15)17-12-18(24-20(26)14-2-3-14)23-19-16(17)8-10-22-19/h4-8,10,12,14,25H,1-3,9,11H2,(H2,22,23,24,26)
InChIKeyYKXRUDIJCBXADH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.68
Rot. Bonds8

About N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560848) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560848
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(NS(=O)(=O)CCCF)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C20H21FN4O3S/c21-9-1-11-29(27,28)25-15-6-4-13(5-7-15)17-12-18(24-20(26)14-2-3-14)23-19-16(17)8-10-22-19/h4-8,10,12,14,25H,1-3,9,11H2,(H2,22,23,24,26)
InChIKeyYKXRUDIJCBXADH-UHFFFAOYSA-N
XLogP3.68
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide 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 N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560848) is N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc(-c2ccc(NS(=O)(=O)CCCF)cc2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is YKXRUDIJCBXADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c21-9-1-11-29(27,28)25-15-6-4-13(5-7-15)17-12-18(24-20(26)14-2-3-14)23-19-16(17)8-10-22-19/h4-8,10,12,14,25H,1-3,9,11H2,(H2,22,23,24,26).
What are the key properties of N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluoropropylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).