2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide

C25H29N5O2 — CID 20880159

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)cc2)CC1
InChIInChI=1S/C25H29N5O2/c1-2-28-11-13-29(14-12-28)16-19-7-9-21(10-8-19)27-24(31)17-30-25-20(15-26-30)18-32-23-6-4-3-5-22(23)25/h3-10,15H,2,11-14,16-18H2,1H3,(H,27,31)
InChIKeyGMQMHFYHWUMICB-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.22
Rot. Bonds6

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 20880159) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID20880159
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)cc2)CC1
InChIInChI=1S/C25H29N5O2/c1-2-28-11-13-29(14-12-28)16-19-7-9-21(10-8-19)27-24(31)17-30-25-20(15-26-30)18-32-23-6-4-3-5-22(23)25/h3-10,15H,2,11-14,16-18H2,1H3,(H,27,31)
InChIKeyGMQMHFYHWUMICB-UHFFFAOYSA-N
XLogP3.22
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide (CID 20880159) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide is CCN1CCN(Cc2ccc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)cc2)CC1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is GMQMHFYHWUMICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-28-11-13-29(14-12-28)16-19-7-9-21(10-8-19)27-24(31)17-30-25-20(15-26-30)18-32-23-6-4-3-5-22(23)25/h3-10,15H,2,11-14,16-18H2,1H3,(H,27,31).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 20880159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).