4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide

C26H19N9O2 — CID 136630881

IUPAC4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide
SMILESNc1nnc2cc(-c3ccc(C(=O)Nc4nnn[nH]4)cc3)[nH]c(-c3ccc(Oc4ccccc4)cc3)c1-2
InChIInChI=1S/C26H19N9O2/c27-24-22-21(30-31-24)14-20(15-6-8-17(9-7-15)25(36)29-26-32-34-35-33-26)28-23(22)16-10-12-19(13-11-16)37-18-4-2-1-3-5-18/h1-14,28H,(H2,27,31)(H2,29,32,33,34,35,36)
InChIKeyXTXNEMWHDLQFQD-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.38
Rot. Bonds6

About 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide

4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide (PubChem CID 136630881) has the molecular formula C26H19N9O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide
PubChem CID136630881
Molecular FormulaC26H19N9O2
Molecular Weight489.50 g/mol
Exact Mass489.17
IUPAC Name4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide
SMILESNc1nnc2cc(-c3ccc(C(=O)Nc4nnn[nH]4)cc3)[nH]c(-c3ccc(Oc4ccccc4)cc3)c1-2
InChIInChI=1S/C26H19N9O2/c27-24-22-21(30-31-24)14-20(15-6-8-17(9-7-15)25(36)29-26-32-34-35-33-26)28-23(22)16-10-12-19(13-11-16)37-18-4-2-1-3-5-18/h1-14,28H,(H2,27,31)(H2,29,32,33,34,35,36)
InChIKeyXTXNEMWHDLQFQD-UHFFFAOYSA-N
XLogP4.38
TPSA160.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide (CID 136630881) is 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide is Nc1nnc2cc(-c3ccc(C(=O)Nc4nnn[nH]4)cc3)[nH]c(-c3ccc(Oc4ccccc4)cc3)c1-2.
What is the InChIKey of 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide?
The InChIKey is XTXNEMWHDLQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N9O2/c27-24-22-21(30-31-24)14-20(15-6-8-17(9-7-15)25(36)29-26-32-34-35-33-26)28-23(22)16-10-12-19(13-11-16)37-18-4-2-1-3-5-18/h1-14,28H,(H2,27,31)(H2,29,32,33,34,35,36).
What are the key properties of 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide?
4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide has a molecular weight of 489.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(4-phenoxyphenyl)-5H-pyrazolo[4,3-c]pyridin-6-yl]-N-(1H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 136630881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).