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

C17H24N6O2 — CID 56900569

IUPAC1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)Nc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)cn1
InChIInChI=1S/C17H24N6O2/c1-13(2)21-16-18-10-14(11-19-16)12-22-8-4-17(5-9-22,15(24)25)23-7-3-6-20-23/h3,6-7,10-11,13H,4-5,8-9,12H2,1-2H3,(H,24,25)(H,18,19,21)
InChIKeyQFGHXKHHIJZINA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.57
Rot. Bonds6

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

1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56900569) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56900569
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCC(C)Nc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)cn1
InChIInChI=1S/C17H24N6O2/c1-13(2)21-16-18-10-14(11-19-16)12-22-8-4-17(5-9-22,15(24)25)23-7-3-6-20-23/h3,6-7,10-11,13H,4-5,8-9,12H2,1-2H3,(H,24,25)(H,18,19,21)
InChIKeyQFGHXKHHIJZINA-UHFFFAOYSA-N
XLogP1.57
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53560138
1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912577
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895252
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56905596
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
4-(4-methyl-1H-pyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 70732256
2-Pyrazol-1-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 140983432
4-Methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 152268396
(2S)-2-(methylamino)-4-(4-pyrimidin-2-ylpyridazin-1-ium-1-yl)butanoic acid
CID 154679190
4-Methyl-1-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 156298633
1-[2-(4-Methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 172581452
1-[4-(4-Methylpyrazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581480

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56900569) is 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CC(C)Nc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)cn1.
What is the InChIKey of 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is QFGHXKHHIJZINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13(2)21-16-18-10-14(11-19-16)12-22-8-4-17(5-9-22,15(24)25)23-7-3-6-20-23/h3,6-7,10-11,13H,4-5,8-9,12H2,1-2H3,(H,24,25)(H,18,19,21).
What are the key properties of 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56900569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).