2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide

C23H26N6O — CID 25008845

IUPAC2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2ccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc21
InChIInChI=1S/C23H26N6O/c24-23(30)15-29-9-7-17-4-3-16(10-22(17)29)13-28-8-1-2-20(14-28)26-19-5-6-21-18(11-19)12-25-27-21/h3-7,9-12,20,26H,1-2,8,13-15H2,(H2,24,30)(H,25,27)
InChIKeyNFKDKPROTAFVJH-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.08
Rot. Bonds6

About 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide

2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide (PubChem CID 25008845) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide
PubChem CID25008845
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2ccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc21
InChIInChI=1S/C23H26N6O/c24-23(30)15-29-9-7-17-4-3-16(10-22(17)29)13-28-8-1-2-20(14-28)26-19-5-6-21-18(11-19)12-25-27-21/h3-7,9-12,20,26H,1-2,8,13-15H2,(H2,24,30)(H,25,27)
InChIKeyNFKDKPROTAFVJH-UHFFFAOYSA-N
XLogP3.08
TPSA91.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide (CID 25008845) is 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide is NC(=O)Cn1ccc2ccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc21.
What is the InChIKey of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The InChIKey is NFKDKPROTAFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c24-23(30)15-29-9-7-17-4-3-16(10-22(17)29)13-28-8-1-2-20(14-28)26-19-5-6-21-18(11-19)12-25-27-21/h3-7,9-12,20,26H,1-2,8,13-15H2,(H2,24,30)(H,25,27).
What are the key properties of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide?
2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 25008845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).