N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C22H25N3O2 — CID 118706784

IUPACN-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESCOc1ccc(CNC2CCCn3nc(COc4ccccc4)cc32)cc1
InChIInChI=1S/C22H25N3O2/c1-26-19-11-9-17(10-12-19)15-23-21-8-5-13-25-22(21)14-18(24-25)16-27-20-6-3-2-4-7-20/h2-4,6-7,9-12,14,21,23H,5,8,13,15-16H2,1H3
InChIKeyXHMRZQHOLDKOFK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.10
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 118706784) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID118706784
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESCOc1ccc(CNC2CCCn3nc(COc4ccccc4)cc32)cc1
InChIInChI=1S/C22H25N3O2/c1-26-19-11-9-17(10-12-19)15-23-21-8-5-13-25-22(21)14-18(24-25)16-27-20-6-3-2-4-7-20/h2-4,6-7,9-12,14,21,23H,5,8,13,15-16H2,1H3
InChIKeyXHMRZQHOLDKOFK-UHFFFAOYSA-N
XLogP4.10
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 118706784) is N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is COc1ccc(CNC2CCCn3nc(COc4ccccc4)cc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is XHMRZQHOLDKOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-19-11-9-17(10-12-19)15-23-21-8-5-13-25-22(21)14-18(24-25)16-27-20-6-3-2-4-7-20/h2-4,6-7,9-12,14,21,23H,5,8,13,15-16H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 363.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 118706784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).