3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine

C19H22ClN5O4S — CID 154698212

IUPAC3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCNc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12
InChIInChI=1S/C19H22ClN5O4S/c1-21-15-10-17(24-19-18(15)13(20)11-22-19)23-14-4-3-12(9-16(14)28-2)30(26,27)25-5-7-29-8-6-25/h3-4,9-11H,5-8H2,1-2H3,(H3,21,22,23,24)
InChIKeyNZAPJXMZHCYERY-UHFFFAOYSA-N
MW451.94 g/mol
LogP3.03
Rot. Bonds6

About 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine

3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine (PubChem CID 154698212) has the molecular formula C19H22ClN5O4S and a molecular weight of 451.94 g/mol. Its IUPAC name is 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine.

Molecular Properties

Compound Name3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
PubChem CID154698212
Molecular FormulaC19H22ClN5O4S
Molecular Weight451.94 g/mol
Exact Mass451.11
IUPAC Name3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCNc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12
InChIInChI=1S/C19H22ClN5O4S/c1-21-15-10-17(24-19-18(15)13(20)11-22-19)23-14-4-3-12(9-16(14)28-2)30(26,27)25-5-7-29-8-6-25/h3-4,9-11H,5-8H2,1-2H3,(H3,21,22,23,24)
InChIKeyNZAPJXMZHCYERY-UHFFFAOYSA-N
XLogP3.03
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine with MolForge

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Related Compounds

4-N-cyclopentyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164996896
4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164959318
6-N-[2-methoxy-4-[4-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]piperidin-1-yl]sulfonylphenyl]-4-N-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 163482030
4-N-[(2S)-butan-2-yl]-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 165062721
6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 154698198
5-chloro-2-N-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]-4-N-[(3S)-oxolan-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 165046264
5-chloro-2-N-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]-4-N-[(3R)-oxolan-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164974843
4-(cyclopentylmethylamino)-2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 154649018
4-N-(cyclopentylmethyl)-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648752
5-chloro-4-N-cyclopentyl-2-N-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164996898
4-cyclopropyl-N-[2-methoxy-4-[4-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]piperidin-1-yl]sulfonylphenyl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 166992713
2-(methylamino)-5-morpholin-4-ylsulfonylphenol
CID 42647844

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The IUPAC name of 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine (CID 154698212) is 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine.
What is the SMILES notation for 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The canonical SMILES for 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine is CNc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12.
What is the InChIKey of 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The InChIKey is NZAPJXMZHCYERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O4S/c1-21-15-10-17(24-19-18(15)13(20)11-22-19)23-14-4-3-12(9-16(14)28-2)30(26,27)25-5-7-29-8-6-25/h3-4,9-11H,5-8H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine has a molecular weight of 451.94 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine is sourced from PubChem (CID 154698212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).