1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C26H26FN5O2 — CID 50821845

IUPAC1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn23)CC1
InChIInChI=1S/C26H26FN5O2/c1-17-15-25(32-24(28-17)16-22(30-32)18-7-9-20(27)10-8-18)31-13-11-19(12-14-31)26(33)29-21-5-3-4-6-23(21)34-2/h3-10,15-16,19H,11-14H2,1-2H3,(H,29,33)
InChIKeyNWBARTPAVJVDDC-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.71
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 50821845) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID50821845
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn23)CC1
InChIInChI=1S/C26H26FN5O2/c1-17-15-25(32-24(28-17)16-22(30-32)18-7-9-20(27)10-8-18)31-13-11-19(12-14-31)26(33)29-21-5-3-4-6-23(21)34-2/h3-10,15-16,19H,11-14H2,1-2H3,(H,29,33)
InChIKeyNWBARTPAVJVDDC-UHFFFAOYSA-N
XLogP4.71
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 50821798
N-(2-fluorophenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378549
N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378544
N-(3-chloro-2-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378519
N-(2-chlorophenyl)-1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50822081
N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378548
N-(3-chloro-2-methylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378443
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821900
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46378474
N-(3,4-dimethylphenyl)-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 50821845) is 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(c2cc(C)nc3cc(-c4ccc(F)cc4)nn23)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is NWBARTPAVJVDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-17-15-25(32-24(28-17)16-22(30-32)18-7-9-20(27)10-8-18)31-13-11-19(12-14-31)26(33)29-21-5-3-4-6-23(21)34-2/h3-10,15-16,19H,11-14H2,1-2H3,(H,29,33).
What are the key properties of 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50821845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).