N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C21H22FN3O — CID 118706781

IUPACN-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESFc1cccc(CNC2CCCn3nc(COc4ccccc4)cc32)c1
InChIInChI=1S/C21H22FN3O/c22-17-7-4-6-16(12-17)14-23-20-10-5-11-25-21(20)13-18(24-25)15-26-19-8-2-1-3-9-19/h1-4,6-9,12-13,20,23H,5,10-11,14-15H2
InChIKeyBTTNJTKXLSHRFB-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.23
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 118706781) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID118706781
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESFc1cccc(CNC2CCCn3nc(COc4ccccc4)cc32)c1
InChIInChI=1S/C21H22FN3O/c22-17-7-4-6-16(12-17)14-23-20-10-5-11-25-21(20)13-18(24-25)15-26-19-8-2-1-3-9-19/h1-4,6-9,12-13,20,23H,5,10-11,14-15H2
InChIKeyBTTNJTKXLSHRFB-UHFFFAOYSA-N
XLogP4.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine with MolForge

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Related Compounds

US11576897, Example 20
CID 56600157
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546
US10183913, Example 269
CID 56601153
US10183913, Example 315
CID 56601348
US10183913, Example 258
CID 56601749
US10183913, Example 481
CID 56602155
US11576897, Example 295
CID 66664957
US11576897, Example 293
CID 66665530
US10183913, Example 330
CID 66665535
US11312688, Example 351
CID 66665537
US11576897, Example 303
CID 66665587

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 118706781) is N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is Fc1cccc(CNC2CCCn3nc(COc4ccccc4)cc32)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is BTTNJTKXLSHRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-17-7-4-6-16(12-17)14-23-20-10-5-11-25-21(20)13-18(24-25)15-26-19-8-2-1-3-9-19/h1-4,6-9,12-13,20,23H,5,10-11,14-15H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 351.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 118706781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).