N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide

C24H23N5O3 — CID 66829117

IUPACN-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1
InChIInChI=1S/C24H23N5O3/c1-15(30)27-19-5-3-2-4-18(19)21-14-16(6-10-25-21)23-22-20(28-29-23)7-11-26-24(22)32-17-8-12-31-13-9-17/h2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,27,30)(H,28,29)
InChIKeyNMWJRKBNCLVURD-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.20
Rot. Bonds5

About N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide

N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide (PubChem CID 66829117) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
PubChem CID66829117
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1
InChIInChI=1S/C24H23N5O3/c1-15(30)27-19-5-3-2-4-18(19)21-14-16(6-10-25-21)23-22-20(28-29-23)7-11-26-24(22)32-17-8-12-31-13-9-17/h2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,27,30)(H,28,29)
InChIKeyNMWJRKBNCLVURD-UHFFFAOYSA-N
XLogP4.20
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide (CID 66829117) is N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1.
What is the InChIKey of N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide?
The InChIKey is NMWJRKBNCLVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15(30)27-19-5-3-2-4-18(19)21-14-16(6-10-25-21)23-22-20(28-29-23)7-11-26-24(22)32-17-8-12-31-13-9-17/h2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide?
N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 66829117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).