2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone

C26H27N5O — CID 117073054

IUPAC2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESNC(C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N5O/c27-25(20-8-6-19(7-9-20)18-4-2-1-3-5-18)26(32)31-14-12-22(13-15-31)29-23-10-11-24-21(16-23)17-28-30-24/h1-11,16-17,22,25,29H,12-15,27H2,(H,28,30)
InChIKeyYJTQUZJHTPEBPE-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.33
Rot. Bonds5

About 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone

2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone (PubChem CID 117073054) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
PubChem CID117073054
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESNC(C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N5O/c27-25(20-8-6-19(7-9-20)18-4-2-1-3-5-18)26(32)31-14-12-22(13-15-31)29-23-10-11-24-21(16-23)17-28-30-24/h1-11,16-17,22,25,29H,12-15,27H2,(H,28,30)
InChIKeyYJTQUZJHTPEBPE-UHFFFAOYSA-N
XLogP4.33
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone (CID 117073054) is 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone is NC(C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The InChIKey is YJTQUZJHTPEBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c27-25(20-8-6-19(7-9-20)18-4-2-1-3-5-18)26(32)31-14-12-22(13-15-31)29-23-10-11-24-21(16-23)17-28-30-24/h1-11,16-17,22,25,29H,12-15,27H2,(H,28,30).
What are the key properties of 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone?
2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone has a molecular weight of 425.54 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 117073054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).