1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine

C23H30N6O4S — CID 154997499

IUPAC1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCOc1cc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)ccc1-n1ccc2c(N)cc(N)nc21
InChIInChI=1S/C23H30N6O4S/c1-32-21-14-17(2-3-20(21)29-9-6-18-19(24)15-22(25)26-23(18)29)34(30,31)28-7-4-16(5-8-28)27-10-12-33-13-11-27/h2-3,6,9,14-16H,4-5,7-8,10-13H2,1H3,(H4,24,25,26)
InChIKeyMUSYLZRTKIGDDK-UHFFFAOYSA-N
MW486.60 g/mol
LogP1.68
Rot. Bonds5

About 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine

1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine (PubChem CID 154997499) has the molecular formula C23H30N6O4S and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine.

Molecular Properties

Compound Name1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine
PubChem CID154997499
Molecular FormulaC23H30N6O4S
Molecular Weight486.60 g/mol
Exact Mass486.20
IUPAC Name1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCOc1cc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)ccc1-n1ccc2c(N)cc(N)nc21
InChIInChI=1S/C23H30N6O4S/c1-32-21-14-17(2-3-20(21)29-9-6-18-19(24)15-22(25)26-23(18)29)34(30,31)28-7-4-16(5-8-28)27-10-12-33-13-11-27/h2-3,6,9,14-16H,4-5,7-8,10-13H2,1H3,(H4,24,25,26)
InChIKeyMUSYLZRTKIGDDK-UHFFFAOYSA-N
XLogP1.68
TPSA128.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine 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-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
1-[5-(4-morpholin-4-ylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-8-yl]-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine-4,6-diamine
CID 154997942
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
4-N-(cyclopentylmethyl)-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648982
4-N-[(2R)-butan-2-yl]-2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648842
5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 63174663
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine?
The IUPAC name of 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine (CID 154997499) is 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine.
What is the SMILES notation for 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine?
The canonical SMILES for 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine is COc1cc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)ccc1-n1ccc2c(N)cc(N)nc21.
What is the InChIKey of 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine?
The InChIKey is MUSYLZRTKIGDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4S/c1-32-21-14-17(2-3-20(21)29-9-6-18-19(24)15-22(25)26-23(18)29)34(30,31)28-7-4-16(5-8-28)27-10-12-33-13-11-27/h2-3,6,9,14-16H,4-5,7-8,10-13H2,1H3,(H4,24,25,26).
What are the key properties of 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine?
1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine has a molecular weight of 486.60 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine is sourced from PubChem (CID 154997499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).