(2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen

C27H29N7O2 — CID 154679689

IUPAC(2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen
SMILESCC1CN(C)CCN1C(=O)c1ccc(-c2cc(-c3n[nH]c4cc(-c5cnn(C)c5)ccc34)on2)cc1.[H][H]
InChIInChI=1S/C27H27N7O2.H2/c1-17-15-32(2)10-11-34(17)27(35)19-6-4-18(5-7-19)23-13-25(36-31-23)26-22-9-8-20(12-24(22)29-30-26)21-14-28-33(3)16-21;/h4-9,12-14,16-17H,10-11,15H2,1-3H3,(H,29,30);1H
InChIKeyAKYWJOZZSSMKFN-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.31
Rot. Bonds4

About (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen

(2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen (PubChem CID 154679689) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen
PubChem CID154679689
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen
SMILESCC1CN(C)CCN1C(=O)c1ccc(-c2cc(-c3n[nH]c4cc(-c5cnn(C)c5)ccc34)on2)cc1.[H][H]
InChIInChI=1S/C27H27N7O2.H2/c1-17-15-32(2)10-11-34(17)27(35)19-6-4-18(5-7-19)23-13-25(36-31-23)26-22-9-8-20(12-24(22)29-30-26)21-14-28-33(3)16-21;/h4-9,12-14,16-17H,10-11,15H2,1-3H3,(H,29,30);1H
InChIKeyAKYWJOZZSSMKFN-UHFFFAOYSA-N
XLogP4.31
TPSA96.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen (CID 154679689) is (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen is CC1CN(C)CCN1C(=O)c1ccc(-c2cc(-c3n[nH]c4cc(-c5cnn(C)c5)ccc34)on2)cc1.[H][H].
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen?
The InChIKey is AKYWJOZZSSMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2.H2/c1-17-15-32(2)10-11-34(17)27(35)19-6-4-18(5-7-19)23-13-25(36-31-23)26-22-9-8-20(12-24(22)29-30-26)21-14-28-33(3)16-21;/h4-9,12-14,16-17H,10-11,15H2,1-3H3,(H,29,30);1H.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen?
(2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen has a molecular weight of 483.58 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[4-[5-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 154679689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).