[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C26H32ClN5O — CID 92665010

IUPAC[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(N2CCC(C(=O)N3CCCC[C@H]3C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C26H32ClN5O/c1-17-16-23(30-14-11-21(12-15-30)26(33)31-13-5-4-6-18(31)2)32-25(28-17)24(19(3)29-32)20-7-9-22(27)10-8-20/h7-10,16,18,21H,4-6,11-15H2,1-3H3/t18-/m1/s1
InChIKeyVXQXUQOSFQHPAY-GOSISDBHSA-N
MW466.03 g/mol
LogP5.28
Rot. Bonds3

About [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 92665010) has the molecular formula C26H32ClN5O and a molecular weight of 466.03 g/mol. Its IUPAC name is [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID92665010
Molecular FormulaC26H32ClN5O
Molecular Weight466.03 g/mol
Exact Mass465.23
IUPAC Name[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(N2CCC(C(=O)N3CCCC[C@H]3C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C26H32ClN5O/c1-17-16-23(30-14-11-21(12-15-30)26(33)31-13-5-4-6-18(31)2)32-25(28-17)24(19(3)29-32)20-7-9-22(27)10-8-20/h7-10,16,18,21H,4-6,11-15H2,1-3H3/t18-/m1/s1
InChIKeyVXQXUQOSFQHPAY-GOSISDBHSA-N
XLogP5.28
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 92665010) is [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1cc(N2CCC(C(=O)N3CCCC[C@H]3C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is VXQXUQOSFQHPAY-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32ClN5O/c1-17-16-23(30-14-11-21(12-15-30)26(33)31-13-5-4-6-18(31)2)32-25(28-17)24(19(3)29-32)20-7-9-22(27)10-8-20/h7-10,16,18,21H,4-6,11-15H2,1-3H3/t18-/m1/s1.
What are the key properties of [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 466.03 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 92665010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).