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

C23H18N6O3S — CID 138560982

IUPACN-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1
InChIInChI=1S/C23H18N6O3S/c24-12-17-7-8-18(13-26-17)33(31,32)29-16-5-3-14(4-6-16)20-11-21(28-23(30)15-1-2-15)27-22-19(20)9-10-25-22/h3-11,13,15,29H,1-2H2,(H2,25,27,28,30)
InChIKeyLAQNDJDSHQGCPD-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.65
Rot. Bonds6

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

N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560982) has the molecular formula C23H18N6O3S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560982
Molecular FormulaC23H18N6O3S
Molecular Weight458.50 g/mol
Exact Mass458.12
IUPAC NameN-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1
InChIInChI=1S/C23H18N6O3S/c24-12-17-7-8-18(13-26-17)33(31,32)29-16-5-3-14(4-6-16)20-11-21(28-23(30)15-1-2-15)27-22-19(20)9-10-25-22/h3-11,13,15,29H,1-2H2,(H2,25,27,28,30)
InChIKeyLAQNDJDSHQGCPD-UHFFFAOYSA-N
XLogP3.65
TPSA140.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560982) is N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1.
What is the InChIKey of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is LAQNDJDSHQGCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S/c24-12-17-7-8-18(13-26-17)33(31,32)29-16-5-3-14(4-6-16)20-11-21(28-23(30)15-1-2-15)27-22-19(20)9-10-25-22/h3-11,13,15,29H,1-2H2,(H2,25,27,28,30).
What are the key properties of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 458.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).