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

C15H19N5O2 — CID 118961725

IUPAC3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
SMILESCc1c(Nc2cnccc2C(=O)O)cnn1[C@@H]1CNC[C@H]1C
InChIInChI=1S/C15H19N5O2/c1-9-5-17-8-14(9)20-10(2)12(7-18-20)19-13-6-16-4-3-11(13)15(21)22/h3-4,6-7,9,14,17,19H,5,8H2,1-2H3,(H,21,22)/t9-,14-/m1/s1
InChIKeyOQBMNFCPFPTQPH-YMTOWFKASA-N
MW301.35 g/mol
LogP1.81
Rot. Bonds4

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

3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid (PubChem CID 118961725) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
PubChem CID118961725
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
SMILESCc1c(Nc2cnccc2C(=O)O)cnn1[C@@H]1CNC[C@H]1C
InChIInChI=1S/C15H19N5O2/c1-9-5-17-8-14(9)20-10(2)12(7-18-20)19-13-6-16-4-3-11(13)15(21)22/h3-4,6-7,9,14,17,19H,5,8H2,1-2H3,(H,21,22)/t9-,14-/m1/s1
InChIKeyOQBMNFCPFPTQPH-YMTOWFKASA-N
XLogP1.81
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid with MolForge

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Related Compounds

methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961749
3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961706
3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961824
3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 147065342
3-[[3-methyl-1-[(4S)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 157319289
methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961929
3-[[1-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961708
methyl 3-[[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961699
tert-butyl (4S)-4-[4-[(4-methoxycarbonyl-3-pyridinyl)amino]-5-methylpyrazol-1-yl]azepane-1-carboxylate
CID 118969833
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid (CID 118961725) is 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid is Cc1c(Nc2cnccc2C(=O)O)cnn1[C@@H]1CNC[C@H]1C.
What is the InChIKey of 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is OQBMNFCPFPTQPH-YMTOWFKASA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-5-17-8-14(9)20-10(2)12(7-18-20)19-13-6-16-4-3-11(13)15(21)22/h3-4,6-7,9,14,17,19H,5,8H2,1-2H3,(H,21,22)/t9-,14-/m1/s1.
What are the key properties of 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid?
3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118961725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).