N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

C21H26N4O4S — CID 71451925

IUPACN-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCOc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H26N4O4S/c1-24-9-7-16(8-10-24)23-19-13-18(4-5-20(19)29-3)30(26,27)25-11-6-15-12-17(28-2)14-22-21(15)25/h4-6,11-14,16,23H,7-10H2,1-3H3
InChIKeyLEGGDYSRBAKCDT-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.80
Rot. Bonds6

About N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (PubChem CID 71451925) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
PubChem CID71451925
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCOc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C21H26N4O4S/c1-24-9-7-16(8-10-24)23-19-13-18(4-5-20(19)29-3)30(26,27)25-11-6-15-12-17(28-2)14-22-21(15)25/h4-6,11-14,16,23H,7-10H2,1-3H3
InChIKeyLEGGDYSRBAKCDT-UHFFFAOYSA-N
XLogP2.80
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(5-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 51002362
N-[5-(5-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
CID 71451921
N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-(trifluoromethoxy)benzenesulfonamide
CID 67995988
N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 67996131
4-ethoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 70648399
(2R,3R)-2,3-dihydroxybutanedioic acid;N-[2-methoxy-5-(5-methoxy-3-methylpyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71494646
7-cyclohexyl-N-[2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 72724728
N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]benzenesulfonamide
CID 73356522
4-methoxy-N-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 134150355
4-methoxy-N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156016377
N-[2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
CID 72724729
N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173965

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (CID 71451925) is N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is COc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(NC3CCN(C)CC3)c2)c1.
What is the InChIKey of N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The InChIKey is LEGGDYSRBAKCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-24-9-7-16(8-10-24)23-19-13-18(4-5-20(19)29-3)30(26,27)25-11-6-15-12-17(28-2)14-22-21(15)25/h4-6,11-14,16,23H,7-10H2,1-3H3.
What are the key properties of N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine has a molecular weight of 430.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 71451925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).