tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C28H34N4O5S — CID 59259359

IUPACtert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC1CCN(c2cccc(S(=O)(=O)n3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c4ncccc43)c2)C1
InChIInChI=1S/C28H34N4O5S/c1-28(2,3)37-27(33)30-14-10-20(11-15-30)24-19-32(25-9-6-13-29-26(24)25)38(34,35)23-8-5-7-21(17-23)31-16-12-22(18-31)36-4/h5-10,13,17,19,22H,11-12,14-16,18H2,1-4H3
InChIKeySUCDZOWUXBLDBW-UHFFFAOYSA-N
MW538.67 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 59259359) has the molecular formula C28H34N4O5S and a molecular weight of 538.67 g/mol. Its IUPAC name is tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID59259359
Molecular FormulaC28H34N4O5S
Molecular Weight538.67 g/mol
Exact Mass538.22
IUPAC Nametert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC1CCN(c2cccc(S(=O)(=O)n3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c4ncccc43)c2)C1
InChIInChI=1S/C28H34N4O5S/c1-28(2,3)37-27(33)30-14-10-20(11-15-30)24-19-32(25-9-6-13-29-26(24)25)38(34,35)23-8-5-7-21(17-23)31-16-12-22(18-31)36-4/h5-10,13,17,19,22H,11-12,14-16,18H2,1-4H3
InChIKeySUCDZOWUXBLDBW-UHFFFAOYSA-N
XLogP4.52
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate 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

tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;3-(3-methoxypyrrolidin-1-yl)benzenesulfonyl chloride;1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 160870261
1-[3-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 25192016
formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 157131248
tert-butyl 4-[1-[(3E,6Z)-4-(3-methoxypiperidin-1-yl)octa-3,6-dien-2-yl]sulfinylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 143531288
2-[1-[4-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 44624500
formic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylpyrrolo[3,2-b]pyridine
CID 159076413
1-[3-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 25118559
1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridine
CID 25192019
tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
1-(3-fluorophenyl)sulfonyl-3-(4-pyrrolidin-1-ylcyclohexen-1-yl)pyrrolo[3,2-b]pyridine
CID 46183213
tert-butyl 4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12072032
tert-butyl 4-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68877796

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 59259359) is tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COC1CCN(c2cccc(S(=O)(=O)n3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c4ncccc43)c2)C1.
What is the InChIKey of tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SUCDZOWUXBLDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5S/c1-28(2,3)37-27(33)30-14-10-20(11-15-30)24-19-32(25-9-6-13-29-26(24)25)38(34,35)23-8-5-7-21(17-23)31-16-12-22(18-31)36-4/h5-10,13,17,19,22H,11-12,14-16,18H2,1-4H3.
What are the key properties of tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 538.67 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 59259359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).