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

C21H20N6O3S — CID 138572600

IUPACN-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1
InChIInChI=1S/C21H20N6O3S/c1-27-12-16(11-23-27)31(29,30)26-15-6-4-13(5-7-15)18-10-19(25-21(28)14-2-3-14)24-20-17(18)8-9-22-20/h4-12,14,26H,2-3H2,1H3,(H2,22,24,25,28)
InChIKeyJZRHDZUUCYHZDM-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.11
Rot. Bonds6

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

N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138572600) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138572600
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC NameN-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1
InChIInChI=1S/C21H20N6O3S/c1-27-12-16(11-23-27)31(29,30)26-15-6-4-13(5-7-15)18-10-19(25-21(28)14-2-3-14)24-20-17(18)8-9-22-20/h4-12,14,26H,2-3H2,1H3,(H2,22,24,25,28)
InChIKeyJZRHDZUUCYHZDM-UHFFFAOYSA-N
XLogP3.11
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]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-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138572600) is N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is Cn1cc(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1.
What is the InChIKey of N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is JZRHDZUUCYHZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-27-12-16(11-23-27)31(29,30)26-15-6-4-13(5-7-15)18-10-19(25-21(28)14-2-3-14)24-20-17(18)8-9-22-20/h4-12,14,26H,2-3H2,1H3,(H2,22,24,25,28).
What are the key properties of N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 436.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138572600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).