1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C14H17FN6O2 — CID 70731285

IUPAC1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)ncc1F
InChIInChI=1S/C14H17FN6O2/c1-16-11-10(15)9-17-13(19-11)20-7-3-14(4-8-20,12(22)23)21-6-2-5-18-21/h2,5-6,9H,3-4,7-8H2,1H3,(H,22,23)(H,16,17,19)
InChIKeyWYPGOIBXGVPQIQ-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.93
Rot. Bonds4

About 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 70731285) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID70731285
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)ncc1F
InChIInChI=1S/C14H17FN6O2/c1-16-11-10(15)9-17-13(19-11)20-7-3-14(4-8-20,12(22)23)21-6-2-5-18-21/h2,5-6,9H,3-4,7-8H2,1H3,(H,22,23)(H,16,17,19)
InChIKeyWYPGOIBXGVPQIQ-UHFFFAOYSA-N
XLogP0.93
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-isopropyl-1H-pyrazol-1-yl)-1-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56888148
1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912577
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56905596
1-[5-Fluoro-6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823419
1-[4-(3,5-Dimethyl-1,2,4-triazol-1-yl)-5-fluoropyrimidin-2-yl]piperidine-4-carboxylic acid
CID 170783001
1-(5-Fluoro-4-pyrazol-1-ylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 172581508
1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56888769
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(2-methyl-1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912531
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56912571
4-(4-methyl-1H-pyrazol-1-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 70732256
1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155876453
4-Methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 152268396

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 70731285) is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CNc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)ncc1F.
What is the InChIKey of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is WYPGOIBXGVPQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O2/c1-16-11-10(15)9-17-13(19-11)20-7-3-14(4-8-20,12(22)23)21-6-2-5-18-21/h2,5-6,9H,3-4,7-8H2,1H3,(H,22,23)(H,16,17,19).
What are the key properties of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 320.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 70731285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).