N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine

C21H20N4O3 — CID 11372308

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCOc1ccc(OC)c(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)c1
InChIInChI=1S/C21H20N4O3/c1-26-16-8-9-18(27-2)14(12-16)13-23-20-19-17(24-25-20)10-11-22-21(19)28-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,23,24,25)
InChIKeyXWQFWBSOLVEUDU-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.38
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine

N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 11372308) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID11372308
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCOc1ccc(OC)c(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)c1
InChIInChI=1S/C21H20N4O3/c1-26-16-8-9-18(27-2)14(12-16)13-23-20-19-17(24-25-20)10-11-22-21(19)28-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,23,24,25)
InChIKeyXWQFWBSOLVEUDU-UHFFFAOYSA-N
XLogP4.38
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 11372308) is N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine is COc1ccc(OC)c(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is XWQFWBSOLVEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-26-16-8-9-18(27-2)14(12-16)13-23-20-19-17(24-25-20)10-11-22-21(19)28-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,23,24,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 376.42 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 11372308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).