N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C24H24N6O3S — CID 138560735

IUPACN-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cnn(C5CNC5)c4)cc(NC(=O)C4CC4)nc32)cc1
InChIInChI=1S/C24H24N6O3S/c1-15-2-6-19(7-3-15)34(32,33)30-9-8-20-21(17-11-26-29(14-17)18-12-25-13-18)10-22(27-23(20)30)28-24(31)16-4-5-16/h2-3,6-11,14,16,18,25H,4-5,12-13H2,1H3,(H,27,28,31)
InChIKeyMOZLHQYSWQNZBS-UHFFFAOYSA-N
MW476.56 g/mol
LogP2.94
Rot. Bonds6

About N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560735) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560735
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cnn(C5CNC5)c4)cc(NC(=O)C4CC4)nc32)cc1
InChIInChI=1S/C24H24N6O3S/c1-15-2-6-19(7-3-15)34(32,33)30-9-8-20-21(17-11-26-29(14-17)18-12-25-13-18)10-22(27-23(20)30)28-24(31)16-4-5-16/h2-3,6-11,14,16,18,25H,4-5,12-13H2,1H3,(H,27,28,31)
InChIKeyMOZLHQYSWQNZBS-UHFFFAOYSA-N
XLogP2.94
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560735) is N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cnn(C5CNC5)c4)cc(NC(=O)C4CC4)nc32)cc1.
What is the InChIKey of N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is MOZLHQYSWQNZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-15-2-6-19(7-3-15)34(32,33)30-9-8-20-21(17-11-26-29(14-17)18-12-25-13-18)10-22(27-23(20)30)28-24(31)16-4-5-16/h2-3,6-11,14,16,18,25H,4-5,12-13H2,1H3,(H,27,28,31).
What are the key properties of N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 476.56 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).