4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine

C22H18ClN5O3S — CID 175062717

IUPAC4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine
SMILESO=C(Nc1cc(-c2ccc(N(c3ccc(Cl)nc3)S(=O)O)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C22H18ClN5O3S/c23-19-8-7-16(12-25-19)28(32(30)31)15-5-3-13(4-6-15)18-11-20(27-22(29)14-1-2-14)26-21-17(18)9-10-24-21/h3-12,14H,1-2H2,(H,30,31)(H2,24,26,27,29)
InChIKeyCFEZCJCDGOFDNF-UHFFFAOYSA-N
MW467.94 g/mol
LogP4.90
Rot. Bonds6

About 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine

4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 175062717) has the molecular formula C22H18ClN5O3S and a molecular weight of 467.94 g/mol. Its IUPAC name is 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine
PubChem CID175062717
Molecular FormulaC22H18ClN5O3S
Molecular Weight467.94 g/mol
Exact Mass467.08
IUPAC Name4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine
SMILESO=C(Nc1cc(-c2ccc(N(c3ccc(Cl)nc3)S(=O)O)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C22H18ClN5O3S/c23-19-8-7-16(12-25-19)28(32(30)31)15-5-3-13(4-6-15)18-11-20(27-22(29)14-1-2-14)26-21-17(18)9-10-24-21/h3-12,14H,1-2H2,(H,30,31)(H2,24,26,27,29)
InChIKeyCFEZCJCDGOFDNF-UHFFFAOYSA-N
XLogP4.90
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.94
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(6-cyano-3-pyridinyl)-sulfinoamino]phenyl]-2-(cyclopropanecarbonylamino)-7H-pyrrolo[2,3-d]pyrimidine
CID 175345311
N-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138563380
N-[4-[4-(cyclohexylmethylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138565848
N-[4-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138572264
N-[4-[4-[(6-cyano-3-pyridinyl)sulfanylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138572291
N-[4-[4-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138572669
N-[4-[4-[amino(propylsulfonyl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561553
N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560689
N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560723
N-[4-[4-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560864
N-[4-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560771
N-[4-[4-[[1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560779

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine (CID 175062717) is 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine is O=C(Nc1cc(-c2ccc(N(c3ccc(Cl)nc3)S(=O)O)cc2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CFEZCJCDGOFDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3S/c23-19-8-7-16(12-25-19)28(32(30)31)15-5-3-13(4-6-15)18-11-20(27-22(29)14-1-2-14)26-21-17(18)9-10-24-21/h3-12,14H,1-2H2,(H,30,31)(H2,24,26,27,29).
What are the key properties of 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine?
4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 467.94 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-chloro-3-pyridinyl)-sulfinoamino]phenyl]-6-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175062717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).