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

C24H27N5O4S — CID 138560826

IUPACN-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCC(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)CC1
InChIInChI=1S/C24H27N5O4S/c1-15(30)29-12-9-19(10-13-29)34(32,33)28-18-6-4-16(5-7-18)21-14-22(27-24(31)17-2-3-17)26-23-20(21)8-11-25-23/h4-8,11,14,17,19,28H,2-3,9-10,12-13H2,1H3,(H2,25,26,27,31)
InChIKeyZIUOUNDBQXHLSA-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.33
Rot. Bonds6

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

N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560826) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560826
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCC(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)CC1
InChIInChI=1S/C24H27N5O4S/c1-15(30)29-12-9-19(10-13-29)34(32,33)28-18-6-4-16(5-7-18)21-14-22(27-24(31)17-2-3-17)26-23-20(21)8-11-25-23/h4-8,11,14,17,19,28H,2-3,9-10,12-13H2,1H3,(H2,25,26,27,31)
InChIKeyZIUOUNDBQXHLSA-UHFFFAOYSA-N
XLogP3.33
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560826) is N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC(=O)N1CCC(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)CC1.
What is the InChIKey of N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is ZIUOUNDBQXHLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-15(30)29-12-9-19(10-13-29)34(32,33)28-18-6-4-16(5-7-18)21-14-22(27-24(31)17-2-3-17)26-23-20(21)8-11-25-23/h4-8,11,14,17,19,28H,2-3,9-10,12-13H2,1H3,(H2,25,26,27,31).
What are the key properties of N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1-acetylpiperidin-4-yl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).