1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C25H26ClN5O2 — CID 46378501

IUPAC1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3ccc(C)o3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C25H26ClN5O2/c1-16-13-24(31-23(28-16)14-22(29-31)18-4-6-20(26)7-5-18)30-11-9-19(10-12-30)25(32)27-15-21-8-3-17(2)33-21/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,27,32)
InChIKeyMZDKKAQBYICAIT-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.79
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 46378501) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID46378501
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3ccc(C)o3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C25H26ClN5O2/c1-16-13-24(31-23(28-16)14-22(29-31)18-4-6-20(26)7-5-18)30-11-9-19(10-12-30)25(32)27-15-21-8-3-17(2)33-21/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,27,32)
InChIKeyMZDKKAQBYICAIT-UHFFFAOYSA-N
XLogP4.79
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378543
N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378425
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46378481
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46378480
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46378505
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46378469
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50821797
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 46378474
1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 50822008
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 50822054
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 50821899
N-(5-chloro-2-methylphenyl)-1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 46378501) is 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCc3ccc(C)o3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MZDKKAQBYICAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-16-13-24(31-23(28-16)14-22(29-31)18-4-6-20(26)7-5-18)30-11-9-19(10-12-30)25(32)27-15-21-8-3-17(2)33-21/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,27,32).
What are the key properties of 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46378501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).