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

C26H36N6O4S — CID 154698198

IUPAC6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(S(=O)(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C26H36N6O4S/c1-3-9-27-23-18-25(30-26-21(23)6-10-28-26)29-22-5-4-20(17-24(22)35-2)37(33,34)32-11-7-19(8-12-32)31-13-15-36-16-14-31/h4-6,10,17-19H,3,7-9,11-16H2,1-2H3,(H3,27,28,29,30)
InChIKeyLAEJBEXKOCNWFY-UHFFFAOYSA-N
MW528.68 g/mol
LogP3.62
Rot. Bonds9

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

6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine (PubChem CID 154698198) has the molecular formula C26H36N6O4S and a molecular weight of 528.68 g/mol. Its IUPAC name is 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
PubChem CID154698198
Molecular FormulaC26H36N6O4S
Molecular Weight528.68 g/mol
Exact Mass528.25
IUPAC Name6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCCCNc1cc(Nc2ccc(S(=O)(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C26H36N6O4S/c1-3-9-27-23-18-25(30-26-21(23)6-10-28-26)29-22-5-4-20(17-24(22)35-2)37(33,34)32-11-7-19(8-12-32)31-13-15-36-16-14-31/h4-6,10,17-19H,3,7-9,11-16H2,1-2H3,(H3,27,28,29,30)
InChIKeyLAEJBEXKOCNWFY-UHFFFAOYSA-N
XLogP3.62
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.68
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine with MolForge

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Related Compounds

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
4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 175846558
3-chloro-6-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N-methyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 154698212
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
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
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
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
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
1-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]pyrrolo[2,3-b]pyridine-4,6-diamine
CID 154997499
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
4-N-(cyclopentylmethyl)-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648752

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The IUPAC name of 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) is 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine.
What is the SMILES notation for 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The canonical SMILES for 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine is CCCNc1cc(Nc2ccc(S(=O)(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]ccc12.
What is the InChIKey of 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The InChIKey is LAEJBEXKOCNWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O4S/c1-3-9-27-23-18-25(30-26-21(23)6-10-28-26)29-22-5-4-20(17-24(22)35-2)37(33,34)32-11-7-19(8-12-32)31-13-15-36-16-14-31/h4-6,10,17-19H,3,7-9,11-16H2,1-2H3,(H3,27,28,29,30).
What are the key properties of 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine has a molecular weight of 528.68 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-4-N-propyl-1H-pyrrolo[2,3-b]pyridine-4,6-diamine is sourced from PubChem (CID 154698198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).