3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid

C23H25F2N5O2 — CID 118961807

IUPAC3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(CCN2CCC(F)(F)CC2)c1Nc1cnccc1C(=O)O
InChIInChI=1S/C23H25F2N5O2/c1-16-20(17-5-3-2-4-6-17)28-30(14-13-29-11-8-23(24,25)9-12-29)21(16)27-19-15-26-10-7-18(19)22(31)32/h2-7,10,15,27H,8-9,11-14H2,1H3,(H,31,32)
InChIKeyGHJXZJNZJAISMF-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.43
Rot. Bonds7

About 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid

3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid (PubChem CID 118961807) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
PubChem CID118961807
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC Name3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nn(CCN2CCC(F)(F)CC2)c1Nc1cnccc1C(=O)O
InChIInChI=1S/C23H25F2N5O2/c1-16-20(17-5-3-2-4-6-17)28-30(14-13-29-11-8-23(24,25)9-12-29)21(16)27-19-15-26-10-7-18(19)22(31)32/h2-7,10,15,27H,8-9,11-14H2,1H3,(H,31,32)
InChIKeyGHJXZJNZJAISMF-UHFFFAOYSA-N
XLogP4.43
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid (CID 118961807) is 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid is Cc1c(-c2ccccc2)nn(CCN2CCC(F)(F)CC2)c1Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is GHJXZJNZJAISMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c1-16-20(17-5-3-2-4-6-17)28-30(14-13-29-11-8-23(24,25)9-12-29)21(16)27-19-15-26-10-7-18(19)22(31)32/h2-7,10,15,27H,8-9,11-14H2,1H3,(H,31,32).
What are the key properties of 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 441.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118961807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).