3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid

C21H24N4O3 — CID 66759782

IUPAC3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Cn2ccc3c(NC4CCCN(C(=O)O)C4)ccnc32)cc1
InChIInChI=1S/C21H24N4O3/c1-28-17-6-4-15(5-7-17)13-24-12-9-18-19(8-10-22-20(18)24)23-16-3-2-11-25(14-16)21(26)27/h4-10,12,16H,2-3,11,13-14H2,1H3,(H,22,23)(H,26,27)
InChIKeyBXMOEVRTRCVOCG-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.65
Rot. Bonds5

About 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid

3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 66759782) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID66759782
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Cn2ccc3c(NC4CCCN(C(=O)O)C4)ccnc32)cc1
InChIInChI=1S/C21H24N4O3/c1-28-17-6-4-15(5-7-17)13-24-12-9-18-19(8-10-22-20(18)24)23-16-3-2-11-25(14-16)21(26)27/h4-10,12,16H,2-3,11,13-14H2,1H3,(H,22,23)(H,26,27)
InChIKeyBXMOEVRTRCVOCG-UHFFFAOYSA-N
XLogP3.65
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
CID 66716346
(3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylic acid
CID 118623301
(3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-[3-(5-methyl-1,3-thiazol-2-yl)phenoxy]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylic acid
CID 118623534
4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxycyclohexane-1-carboxylic acid
CID 118636000
3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 71246113
4-[[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzaldehyde
CID 144859747
tert-butyl (3R)-3-[[4-[4-(hydroxymethyl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylate
CID 118636006
tert-butyl (3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-[4-(2-oxopentyl)phenoxy]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylate
CID 161411690
tert-butyl (3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylate
CID 118635892
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020
(3aR,7aR)-2-[(4-methoxyphenyl)methyl]-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-5-carboxylic acid
CID 68751705

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid (CID 66759782) is 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid is COc1ccc(Cn2ccc3c(NC4CCCN(C(=O)O)C4)ccnc32)cc1.
What is the InChIKey of 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is BXMOEVRTRCVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-28-17-6-4-15(5-7-17)13-24-12-9-18-19(8-10-22-20(18)24)23-16-3-2-11-25(14-16)21(26)27/h4-10,12,16H,2-3,11,13-14H2,1H3,(H,22,23)(H,26,27).
What are the key properties of 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 66759782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).