2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

C23H25FN6O2 — CID 110084594

IUPAC2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCCn1ccc(C(=O)N2CCCCC2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)n1
InChIInChI=1S/C23H25FN6O2/c1-3-29-13-11-19(28-29)23(32)30-12-5-4-6-20(30)21-25-14-18(15(2)26-21)22(31)27-17-9-7-16(24)8-10-17/h7-11,13-14,20H,3-6,12H2,1-2H3,(H,27,31)
InChIKeyLMRCIPDCTXXFRS-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.76
Rot. Bonds5

About 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 110084594) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID110084594
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCCn1ccc(C(=O)N2CCCCC2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)n1
InChIInChI=1S/C23H25FN6O2/c1-3-29-13-11-19(28-29)23(32)30-12-5-4-6-20(30)21-25-14-18(15(2)26-21)22(31)27-17-9-7-16(24)8-10-17/h7-11,13-14,20H,3-6,12H2,1-2H3,(H,27,31)
InChIKeyLMRCIPDCTXXFRS-UHFFFAOYSA-N
XLogP3.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
N-(4-fluorophenyl)-4-methyl-2-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637091
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247458
2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92637216
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
N-(4-chlorophenyl)-4-methyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110084578
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide (CID 110084594) is 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide is CCn1ccc(C(=O)N2CCCCC2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)n1.
What is the InChIKey of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is LMRCIPDCTXXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-3-29-13-11-19(28-29)23(32)30-12-5-4-6-20(30)21-25-14-18(15(2)26-21)22(31)27-17-9-7-16(24)8-10-17/h7-11,13-14,20H,3-6,12H2,1-2H3,(H,27,31).
What are the key properties of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).