N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide

C27H23N5O2 — CID 50997596

IUPACN-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)cc1
InChIInChI=1S/C27H23N5O2/c1-17(33)29-15-18-7-9-20(10-8-18)25-26-24(27(28)32-31-26)23(16-30-25)19-11-13-22(14-12-19)34-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,29,33)(H3,28,31,32)
InChIKeyIISXGXMIXZZBCJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.30
Rot. Bonds6

About N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide

N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide (PubChem CID 50997596) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide
PubChem CID50997596
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC NameN-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)cc1
InChIInChI=1S/C27H23N5O2/c1-17(33)29-15-18-7-9-20(10-8-18)25-26-24(27(28)32-31-26)23(16-30-25)19-11-13-22(14-12-19)34-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,29,33)(H3,28,31,32)
InChIKeyIISXGXMIXZZBCJ-UHFFFAOYSA-N
XLogP5.30
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
CID 50997405
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
CID 129142524
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
CID 50996170
tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
CID 121449320
4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
CID 67574988
4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine
CID 71015108
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
N-benzylacetamide;toluene
CID 175498463
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 67574938

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide (CID 50997596) is N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)cc1.
What is the InChIKey of N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide?
The InChIKey is IISXGXMIXZZBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-17(33)29-15-18-7-9-20(10-8-18)25-26-24(27(28)32-31-26)23(16-30-25)19-11-13-22(14-12-19)34-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,29,33)(H3,28,31,32).
What are the key properties of N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide?
N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 50997596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).