1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

C17H24FN7O2 — CID 155876453

IUPAC1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H24FN7O2/c1-24-7-3-14(23-24)22-17(15(26)19-6-10-27-2)4-8-25(9-5-17)16-20-11-13(18)12-21-16/h3,7,11-12H,4-6,8-10H2,1-2H3,(H,19,26)(H,22,23)
InChIKeyWEMZTOIDYLBEKK-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.56
Rot. Bonds7

About 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155876453) has the molecular formula C17H24FN7O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155876453
Molecular FormulaC17H24FN7O2
Molecular Weight377.42 g/mol
Exact Mass377.20
IUPAC Name1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H24FN7O2/c1-24-7-3-14(23-24)22-17(15(26)19-6-10-27-2)4-8-25(9-5-17)16-20-11-13(18)12-21-16/h3,7,11-12H,4-6,8-10H2,1-2H3,(H,19,26)(H,22,23)
InChIKeyWEMZTOIDYLBEKK-UHFFFAOYSA-N
XLogP0.56
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 72142769
N-(2-methoxyethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134799014
N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134800039
(2S)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 129523291
(2S)-2-amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
CID 141633459
N-[4-ethyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-3,3,3-trifluoropropanamide
CID 149819351
3,3,3-trifluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 153525517
4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 156315501
1-fluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 156315502
2-Amino-1-[4-(3-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]-4-methylpentan-1-one
CID 175348142
1-[5-Fluoro-4-(methylamino)pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 70731285
3-[(5-Fluoropyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 132385702

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155876453) is 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is COCCNC(=O)C1(Nc2ccn(C)n2)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is WEMZTOIDYLBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN7O2/c1-24-7-3-14(23-24)22-17(15(26)19-6-10-27-2)4-8-25(9-5-17)16-20-11-13(18)12-21-16/h3,7,11-12H,4-6,8-10H2,1-2H3,(H,19,26)(H,22,23).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155876453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).