N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide

C24H30N4O3S — CID 18969225

IUPACN-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
SMILESCCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4S(C)(=O)=O)nc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-3-4-13-28-14-11-17(12-15-28)19-16-25-20-9-10-22(26-23(19)20)27-24(29)18-7-5-6-8-21(18)32(2,30)31/h5-10,16-17,25H,3-4,11-15H2,1-2H3,(H,26,27,29)
InChIKeyMGPPMMYDERMOCR-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.20
Rot. Bonds7

About N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide

N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide (PubChem CID 18969225) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
PubChem CID18969225
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
SMILESCCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4S(C)(=O)=O)nc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-3-4-13-28-14-11-17(12-15-28)19-16-25-20-9-10-22(26-23(19)20)27-24(29)18-7-5-6-8-21(18)32(2,30)31/h5-10,16-17,25H,3-4,11-15H2,1-2H3,(H,26,27,29)
InChIKeyMGPPMMYDERMOCR-UHFFFAOYSA-N
XLogP4.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide with MolForge

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Related Compounds

4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 10959868
2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 11035452
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide
CID 10925076
(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide
CID 19601566
N-[3-(1-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-methylsulfonylbenzamide
CID 19064706
1-ethyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 11808793
4-methoxybenzoic acid;1-(2-methylphenyl)-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 19601513
4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601454
3,4-difluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601483
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
1-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-prop-2-enylurea
CID 19601509
1-ethyl-1-[3-(1-pentylpiperidin-4-yl)-1H-indol-5-yl]-3-phenylurea
CID 174394537

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide (CID 18969225) is N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide is CCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4S(C)(=O)=O)nc23)CC1.
What is the InChIKey of N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide?
The InChIKey is MGPPMMYDERMOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-3-4-13-28-14-11-17(12-15-28)19-16-25-20-9-10-22(26-23(19)20)27-24(29)18-7-5-6-8-21(18)32(2,30)31/h5-10,16-17,25H,3-4,11-15H2,1-2H3,(H,26,27,29).
What are the key properties of N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide?
N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide has a molecular weight of 454.60 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 18969225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).