4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C17H19N5O3 — CID 68756271

IUPAC4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cc(N3CCc4ncccc43)ncn2)CC1
InChIInChI=1S/C17H19N5O3/c23-17(24)21-7-3-12(4-8-21)25-16-10-15(19-11-20-16)22-9-5-13-14(22)2-1-6-18-13/h1-2,6,10-12H,3-5,7-9H2,(H,23,24)
InChIKeyMZWCUIDTAHILRN-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.09
Rot. Bonds3

About 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 68756271) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID68756271
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cc(N3CCc4ncccc43)ncn2)CC1
InChIInChI=1S/C17H19N5O3/c23-17(24)21-7-3-12(4-8-21)25-16-10-15(19-11-20-16)22-9-5-13-14(22)2-1-6-18-13/h1-2,6,10-12H,3-5,7-9H2,(H,23,24)
InChIKeyMZWCUIDTAHILRN-UHFFFAOYSA-N
XLogP2.09
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid with MolForge

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Related Compounds

benzyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68562874
O-methyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carbothioate
CID 123564398
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
propan-2-yl 4-[6-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59566490
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
propan-2-yl 4-[6-[5-(methylsulfamoyl)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68561417
2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 71497994
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
2-fluoro-4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 68671305
(4-fluorophenyl) 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68563078
cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68563988
4-[6-(4-piperidin-1-ylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141132528

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 68756271) is 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cc(N3CCc4ncccc43)ncn2)CC1.
What is the InChIKey of 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is MZWCUIDTAHILRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-17(24)21-7-3-12(4-8-21)25-16-10-15(19-11-20-16)22-9-5-13-14(22)2-1-6-18-13/h1-2,6,10-12H,3-5,7-9H2,(H,23,24).
What are the key properties of 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 68756271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).