[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C22H24ClN5O2 — CID 2429892

IUPAC[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1
InChIInChI=1S/C22H24ClN5O2/c1-15-14-16(2)28(25-15)20-9-8-17(23)21(24-20)22(29)27-12-10-26(11-13-27)18-6-4-5-7-19(18)30-3/h4-9,14H,10-13H2,1-3H3
InChIKeyAXWPNJVKXSPAJZ-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.51
Rot. Bonds4

About [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2429892) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID2429892
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1
InChIInChI=1S/C22H24ClN5O2/c1-15-14-16(2)28(25-15)20-9-8-17(23)21(24-20)22(29)27-12-10-26(11-13-27)18-6-4-5-7-19(18)30-3/h4-9,14H,10-13H2,1-3H3
InChIKeyAXWPNJVKXSPAJZ-UHFFFAOYSA-N
XLogP3.51
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 2429892) is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1.
What is the InChIKey of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AXWPNJVKXSPAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-15-14-16(2)28(25-15)20-9-8-17(23)21(24-20)22(29)27-12-10-26(11-13-27)18-6-4-5-7-19(18)30-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 425.92 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2429892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).