2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid

C16H22N6O2 — CID 175150650

IUPAC2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)O)C(C)C2)c1
InChIInChI=1S/C16H22N6O2/c1-10-6-13(17-14-8-11(2)19-20-14)18-15(7-10)21-4-5-22(16(23)24)12(3)9-21/h6-8,12H,4-5,9H2,1-3H3,(H,23,24)(H2,17,18,19,20)
InChIKeyINSNXNYZPGBPSU-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.35
Rot. Bonds3

About 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid

2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 175150650) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID175150650
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)O)C(C)C2)c1
InChIInChI=1S/C16H22N6O2/c1-10-6-13(17-14-8-11(2)19-20-14)18-15(7-10)21-4-5-22(16(23)24)12(3)9-21/h6-8,12H,4-5,9H2,1-3H3,(H,23,24)(H2,17,18,19,20)
InChIKeyINSNXNYZPGBPSU-UHFFFAOYSA-N
XLogP2.35
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134192967
(2R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazine-1-carboxamide
CID 156777029
4-hydroxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxylic acid
CID 129073613
N-(5-methyl-1H-pyrazol-3-yl)-6-(3-methylpyrrolidin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 89062021
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-N-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]azetidine-3-carboxamide
CID 134192977
[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methanone
CID 165093633
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
4-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyridin-2-amine
CID 144988154
(2S,3S)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 66576993
1-[2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255468
6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 24991599
[(3S)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 124981518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid (CID 175150650) is 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)O)C(C)C2)c1.
What is the InChIKey of 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is INSNXNYZPGBPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-10-6-13(17-14-8-11(2)19-20-14)18-15(7-10)21-4-5-22(16(23)24)12(3)9-21/h6-8,12H,4-5,9H2,1-3H3,(H,23,24)(H2,17,18,19,20).
What are the key properties of 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175150650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).