2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide

C30H25N5O2 — CID 142940464

IUPAC2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccncc1)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccccc4)c(O)c3)n[nH]c1-2
InChIInChI=1S/C30H25N5O2/c31-28(37)18-35(17-19-10-12-32-13-11-19)23-7-9-25-22(14-23)15-26-29(33-34-30(25)26)21-6-8-24(27(36)16-21)20-4-2-1-3-5-20/h1-14,16,36H,15,17-18H2,(H2,31,37)(H,33,34)
InChIKeyJXJJTENBGOAZGM-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.91
Rot. Bonds7

About 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide

2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 142940464) has the molecular formula C30H25N5O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide
PubChem CID142940464
Molecular FormulaC30H25N5O2
Molecular Weight487.56 g/mol
Exact Mass487.20
IUPAC Name2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccncc1)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccccc4)c(O)c3)n[nH]c1-2
InChIInChI=1S/C30H25N5O2/c31-28(37)18-35(17-19-10-12-32-13-11-19)23-7-9-25-22(14-23)15-26-29(33-34-30(25)26)21-6-8-24(27(36)16-21)20-4-2-1-3-5-20/h1-14,16,36H,15,17-18H2,(H2,31,37)(H,33,34)
InChIKeyJXJJTENBGOAZGM-UHFFFAOYSA-N
XLogP4.91
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide (CID 142940464) is 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide is NC(=O)CN(Cc1ccncc1)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccccc4)c(O)c3)n[nH]c1-2.
What is the InChIKey of 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is JXJJTENBGOAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2/c31-28(37)18-35(17-19-10-12-32-13-11-19)23-7-9-25-22(14-23)15-26-29(33-34-30(25)26)21-6-8-24(27(36)16-21)20-4-2-1-3-5-20/h1-14,16,36H,15,17-18H2,(H2,31,37)(H,33,34).
What are the key properties of 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide?
2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 487.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-hydroxy-4-phenylphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]-(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 142940464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).