3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide

C24H25N5O — CID 74369223

IUPAC3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide
SMILESCc1nn(-c2cccc(CCC(N)=O)c2)c2cc(NC(C)c3ccccc3)ncc12
InChIInChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeyZFGCLYUGFRNYFE-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.32
Rot. Bonds7

About 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide

3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide (PubChem CID 74369223) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide
PubChem CID74369223
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide
SMILESCc1nn(-c2cccc(CCC(N)=O)c2)c2cc(NC(C)c3ccccc3)ncc12
InChIInChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeyZFGCLYUGFRNYFE-UHFFFAOYSA-N
XLogP4.32
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide?
The IUPAC name of 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide (CID 74369223) is 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide?
The canonical SMILES for 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide is Cc1nn(-c2cccc(CCC(N)=O)c2)c2cc(NC(C)c3ccccc3)ncc12.
What is the InChIKey of 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide?
The InChIKey is ZFGCLYUGFRNYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16(19-8-4-3-5-9-19)27-24-14-22-21(15-26-24)17(2)28-29(22)20-10-6-7-18(13-20)11-12-23(25)30/h3-10,13-16H,11-12H2,1-2H3,(H2,25,30)(H,26,27).
What are the key properties of 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide?
3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide has a molecular weight of 399.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-methyl-6-(1-phenylethylamino)pyrazolo[4,3-c]pyridin-1-yl]phenyl]propanamide is sourced from PubChem (CID 74369223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).