4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid

C18H26N6O2 — CID 56914621

IUPAC4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(Cc3cnc(NC(C)C)nc3)CC2)c1
InChIInChI=1S/C18H26N6O2/c1-13(2)22-17-19-9-15(10-20-17)12-23-6-4-18(5-7-23,16(25)26)24-11-14(3)8-21-24/h8-11,13H,4-7,12H2,1-3H3,(H,25,26)(H,19,20,22)
InChIKeyDLBQNTPXKDZKGW-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.88
Rot. Bonds6

About 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 56914621) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid
PubChem CID56914621
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(Cc3cnc(NC(C)C)nc3)CC2)c1
InChIInChI=1S/C18H26N6O2/c1-13(2)22-17-19-9-15(10-20-17)12-23-6-4-18(5-7-23,16(25)26)24-11-14(3)8-21-24/h8-11,13H,4-7,12H2,1-3H3,(H,25,26)(H,19,20,22)
InChIKeyDLBQNTPXKDZKGW-UHFFFAOYSA-N
XLogP1.88
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[5-Fluoro-6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823419
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
2-[(5-Fluoropyrimidin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104605998
2-[5-(2-Piperazin-1-ylpyrimidin-5-yl)tetrazol-2-yl]butanoic acid;hydrochloride
CID 68755178
4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 89442613
4-Methyl-1-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 156298633
4-(1H-pyrazol-1-yl)-1-pyrimidin-2-ylpiperidine-4-carboxylic acid
CID 56883365
1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56888971
1-{[2-(ethylamino)pyrimidin-5-yl]carbonyl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56890986
1-[[2-(Propylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56892107
1-[2-Amino-6-(propan-2-ylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56896480
1-{[2-(isopropylamino)pyrimidin-5-yl]methyl}-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56900569

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid (CID 56914621) is 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(Cc3cnc(NC(C)C)nc3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is DLBQNTPXKDZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13(2)22-17-19-9-15(10-20-17)12-23-6-4-18(5-7-23,16(25)26)24-11-14(3)8-21-24/h8-11,13H,4-7,12H2,1-3H3,(H,25,26)(H,19,20,22).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 358.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56914621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).