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

C21H19N5O2 — CID 11785059

IUPACN-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)cc1
InChIInChI=1S/C21H19N5O2/c1-14(27)24-16-9-7-15(8-10-16)13-23-20-19-18(25-26-20)11-12-22-21(19)28-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,24,27)(H2,23,25,26)
InChIKeyDTQGUNBOAFMGGB-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.32
Rot. Bonds6

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

N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 11785059) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide
PubChem CID11785059
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)cc1
InChIInChI=1S/C21H19N5O2/c1-14(27)24-16-9-7-15(8-10-16)13-23-20-19-18(25-26-20)11-12-22-21(19)28-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,24,27)(H2,23,25,26)
InChIKeyDTQGUNBOAFMGGB-UHFFFAOYSA-N
XLogP4.32
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide (CID 11785059) is N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)cc1.
What is the InChIKey of N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is DTQGUNBOAFMGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14(27)24-16-9-7-15(8-10-16)13-23-20-19-18(25-26-20)11-12-22-21(19)28-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,24,27)(H2,23,25,26).
What are the key properties of N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide?
N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-phenoxy-1H-pyrazolo[4,3-c]pyridin-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 11785059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).