1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid

C23H23N5O2 — CID 159477110

IUPAC1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCC(C(=O)O)CC4)c2)=NC3)cn1
InChIInChI=1S/C23H23N5O2/c1-27-14-19(13-26-27)16-2-3-18-12-25-22(20(18)10-16)17-4-7-24-21(11-17)28-8-5-15(6-9-28)23(29)30/h2-4,7,10-11,13-15H,5-6,8-9,12H2,1H3,(H,29,30)
InChIKeyZMMGQTILYIKWLT-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid

1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 159477110) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID159477110
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCC(C(=O)O)CC4)c2)=NC3)cn1
InChIInChI=1S/C23H23N5O2/c1-27-14-19(13-26-27)16-2-3-18-12-25-22(20(18)10-16)17-4-7-24-21(11-17)28-8-5-15(6-9-28)23(29)30/h2-4,7,10-11,13-15H,5-6,8-9,12H2,1H3,(H,29,30)
InChIKeyZMMGQTILYIKWLT-UHFFFAOYSA-N
XLogP3.13
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157070683
4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 162152446
6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 147132055
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
4-[3-(2-piperazin-1-yl-4-pyridinyl)-1H-isoindol-5-yl]-1H-pyridin-2-one
CID 159102861
2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole
CID 160906158
3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157423852
2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159183455
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 147891410
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 159477110) is 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid is Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCC(C(=O)O)CC4)c2)=NC3)cn1.
What is the InChIKey of 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is ZMMGQTILYIKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27-14-19(13-26-27)16-2-3-18-12-25-22(20(18)10-16)17-4-7-24-21(11-17)28-8-5-15(6-9-28)23(29)30/h2-4,7,10-11,13-15H,5-6,8-9,12H2,1H3,(H,29,30).
What are the key properties of 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid?
1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 401.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 159477110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).