N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide

C21H18N4O2 — CID 164618641

IUPACN-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(NC(C)=O)cc4)cc23)cc1
InChIInChI=1S/C21H18N4O2/c1-13(26)23-17-7-3-14(4-8-17)16-11-19-20(24-25-21(19)22-12-16)15-5-9-18(27-2)10-6-15/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyPVMYRLVGSWLCSL-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.26
Rot. Bonds4

About N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide

N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 164618641) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
PubChem CID164618641
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(NC(C)=O)cc4)cc23)cc1
InChIInChI=1S/C21H18N4O2/c1-13(26)23-17-7-3-14(4-8-17)16-11-19-20(24-25-21(19)22-12-16)15-5-9-18(27-2)10-6-15/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyPVMYRLVGSWLCSL-UHFFFAOYSA-N
XLogP4.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide (CID 164618641) is N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide is COc1ccc(-c2[nH]nc3ncc(-c4ccc(NC(C)=O)cc4)cc23)cc1.
What is the InChIKey of N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is PVMYRLVGSWLCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13(26)23-17-7-3-14(4-8-17)16-11-19-20(24-25-21(19)22-12-16)15-5-9-18(27-2)10-6-15/h3-12H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide?
N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 164618641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).