3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid

C21H23N5O2 — CID 118961719

IUPAC3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCN(c3ccccc3)CC2)cc1Nc1cnccc1C(=O)O
InChIInChI=1S/C21H23N5O2/c1-15-20(23-19-13-22-10-7-18(19)21(27)28)14-26(24-15)17-8-11-25(12-9-17)16-5-3-2-4-6-16/h2-7,10,13-14,17,23H,8-9,11-12H2,1H3,(H,27,28)
InChIKeyYFQDPMQYHSSAQE-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.87
Rot. Bonds5

About 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid

3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid (PubChem CID 118961719) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid
PubChem CID118961719
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCN(c3ccccc3)CC2)cc1Nc1cnccc1C(=O)O
InChIInChI=1S/C21H23N5O2/c1-15-20(23-19-13-22-10-7-18(19)21(27)28)14-26(24-15)17-8-11-25(12-9-17)16-5-3-2-4-6-16/h2-7,10,13-14,17,23H,8-9,11-12H2,1H3,(H,27,28)
InChIKeyYFQDPMQYHSSAQE-UHFFFAOYSA-N
XLogP3.87
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-({1-[2-(4,4-Difluoropiperidin-1-Yl)ethyl]-5-Fluoro-1h-Indazol-3-Yl}amino)pyridine-4-Carboxylic Acid
CID 90216621
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
US10040779, Example 41
CID 76283260
US10040779, Example 57
CID 76283756
1-Methyl-5-[(2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 165415002
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
CID 127030808
1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 20855127
US10040779, Example 9
CID 90216487
5-methyl-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 22267819
3-[(1-Phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 2423896
5-(4-Methyl-3,5-diphenylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 68329464
US10106534, Example 188
CID 118598026

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid (CID 118961719) is 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid is Cc1nn(C2CCN(c3ccccc3)CC2)cc1Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is YFQDPMQYHSSAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-20(23-19-13-22-10-7-18(19)21(27)28)14-26(24-15)17-8-11-25(12-9-17)16-5-3-2-4-6-16/h2-7,10,13-14,17,23H,8-9,11-12H2,1H3,(H,27,28).
What are the key properties of 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 377.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118961719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).