N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide

C22H17N7O3S — CID 138561809

IUPACN-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1
InChIInChI=1S/C22H17N7O3S/c23-11-16-7-8-17(12-25-16)33(31,32)29-15-5-3-13(4-6-15)19-18-9-10-24-20(18)27-22(26-19)28-21(30)14-1-2-14/h3-10,12,14,29H,1-2H2,(H2,24,26,27,28,30)
InChIKeyWXELEPQCJCSNJV-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide

N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 138561809) has the molecular formula C22H17N7O3S and a molecular weight of 459.49 g/mol. Its IUPAC name is N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
PubChem CID138561809
Molecular FormulaC22H17N7O3S
Molecular Weight459.49 g/mol
Exact Mass459.11
IUPAC NameN-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1
InChIInChI=1S/C22H17N7O3S/c23-11-16-7-8-17(12-25-16)33(31,32)29-15-5-3-13(4-6-15)19-18-9-10-24-20(18)27-22(26-19)28-21(30)14-1-2-14/h3-10,12,14,29H,1-2H2,(H2,24,26,27,28,30)
InChIKeyWXELEPQCJCSNJV-UHFFFAOYSA-N
XLogP3.04
TPSA153.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide (CID 138561809) is N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(NC(=O)C4CC4)nc4[nH]ccc34)cc2)cn1.
What is the InChIKey of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide?
The InChIKey is WXELEPQCJCSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O3S/c23-11-16-7-8-17(12-25-16)33(31,32)29-15-5-3-13(4-6-15)19-18-9-10-24-20(18)27-22(26-19)28-21(30)14-1-2-14/h3-10,12,14,29H,1-2H2,(H2,24,26,27,28,30).
What are the key properties of N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide?
N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 459.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(6-cyano-3-pyridinyl)sulfonylamino]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138561809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).