3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid

C20H21N5O2 — CID 118961706

IUPAC3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
SMILESC[C@H]1CNC[C@@H]1n1ncc(-c2ccccc2)c1Nc1cnccc1C(=O)O
InChIInChI=1S/C20H21N5O2/c1-13-9-22-12-18(13)25-19(16(10-23-25)14-5-3-2-4-6-14)24-17-11-21-8-7-15(17)20(26)27/h2-8,10-11,13,18,22,24H,9,12H2,1H3,(H,26,27)/t13-,18-/m0/s1
InChIKeyVIMUYIPTWGIXJL-UGSOOPFHSA-N
MW363.42 g/mol
LogP3.17
Rot. Bonds5

About 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid

3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid (PubChem CID 118961706) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
PubChem CID118961706
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
SMILESC[C@H]1CNC[C@@H]1n1ncc(-c2ccccc2)c1Nc1cnccc1C(=O)O
InChIInChI=1S/C20H21N5O2/c1-13-9-22-12-18(13)25-19(16(10-23-25)14-5-3-2-4-6-14)24-17-11-21-8-7-15(17)20(26)27/h2-8,10-11,13,18,22,24H,9,12H2,1H3,(H,26,27)/t13-,18-/m0/s1
InChIKeyVIMUYIPTWGIXJL-UGSOOPFHSA-N
XLogP3.17
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid (CID 118961706) is 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid is C[C@H]1CNC[C@@H]1n1ncc(-c2ccccc2)c1Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is VIMUYIPTWGIXJL-UGSOOPFHSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-9-22-12-18(13)25-19(16(10-23-25)14-5-3-2-4-6-14)24-17-11-21-8-7-15(17)20(26)27/h2-8,10-11,13,18,22,24H,9,12H2,1H3,(H,26,27)/t13-,18-/m0/s1.
What are the key properties of 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid?
3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118961706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).