4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide

C20H17N7O3S — CID 155599710

IUPAC4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide
SMILESN#Cc1ccnc(S(=O)(=O)NC2CC(Nc3c(-c4ncco4)cnc4[nH]ccc34)C2)c1
InChIInChI=1S/C20H17N7O3S/c21-10-12-1-3-22-17(7-12)31(28,29)27-14-8-13(9-14)26-18-15-2-4-23-19(15)25-11-16(18)20-24-5-6-30-20/h1-7,11,13-14,27H,8-9H2,(H2,23,25,26)
InChIKeyLCMSEFFSCSJIKW-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.41
Rot. Bonds6

About 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide

4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide (PubChem CID 155599710) has the molecular formula C20H17N7O3S and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide
PubChem CID155599710
Molecular FormulaC20H17N7O3S
Molecular Weight435.47 g/mol
Exact Mass435.11
IUPAC Name4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide
SMILESN#Cc1ccnc(S(=O)(=O)NC2CC(Nc3c(-c4ncco4)cnc4[nH]ccc34)C2)c1
InChIInChI=1S/C20H17N7O3S/c21-10-12-1-3-22-17(7-12)31(28,29)27-14-8-13(9-14)26-18-15-2-4-23-19(15)25-11-16(18)20-24-5-6-30-20/h1-7,11,13-14,27H,8-9H2,(H2,23,25,26)
InChIKeyLCMSEFFSCSJIKW-UHFFFAOYSA-N
XLogP2.41
TPSA149.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide?
The IUPAC name of 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide (CID 155599710) is 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide.
What is the SMILES notation for 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide?
The canonical SMILES for 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide is N#Cc1ccnc(S(=O)(=O)NC2CC(Nc3c(-c4ncco4)cnc4[nH]ccc34)C2)c1.
What is the InChIKey of 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide?
The InChIKey is LCMSEFFSCSJIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3S/c21-10-12-1-3-22-17(7-12)31(28,29)27-14-8-13(9-14)26-18-15-2-4-23-19(15)25-11-16(18)20-24-5-6-30-20/h1-7,11,13-14,27H,8-9H2,(H2,23,25,26).
What are the key properties of 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide?
4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide has a molecular weight of 435.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]pyridine-2-sulfonamide is sourced from PubChem (CID 155599710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).