N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

C21H16FN3O2 — CID 3205766

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESC1OC2=C(O1)C=C(C=C2)CNC3=C(N=C4N3C=CC=C4)C5=CC=C(C=C5)F
InChIInChI=1S/C21H16FN3O2/c22-16-7-5-15(6-8-16)20-21(25-10-2-1-3-19(25)24-20)23-12-14-4-9-17-18(11-14)27-13-26-17/h1-11,23H,12-13H2
InChIKeyYHBNNVFFDQRZIS-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.10
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3205766) has the molecular formula C21H16FN3O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3205766
Molecular FormulaC21H16FN3O2
Molecular Weight361.40 g/mol
Exact Mass361.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESC1OC2=C(O1)C=C(C=C2)CNC3=C(N=C4N3C=CC=C4)C5=CC=C(C=C5)F
InChIInChI=1S/C21H16FN3O2/c22-16-7-5-15(6-8-16)20-21(25-10-2-1-3-19(25)24-20)23-12-14-4-9-17-18(11-14)27-13-26-17/h1-11,23H,12-13H2
InChIKeyYHBNNVFFDQRZIS-UHFFFAOYSA-N
XLogP5.10
TPSA47.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity502

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538962
SB-505124
CID 9858940
2-Fluoro-8-[(6-Iodo-1,3-Benzodioxol-5-Yl)methyl]-9-[3-(Isopropylamino)propyl]-9h-Purin-6-Amine
CID 11562562
1-(1,3-Benzodioxol-5-Ylmethyl)-5,6,7,8-Tetrahydro-1h-Naphtho[2,3-D]imidazole
CID 73442274
8-Benzo(1,3)Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine
CID 448976
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
5-(((4-Cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile
CID 10206356
7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperazineacetamide
CID 16114993
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-(6-fluoropyridin-2-yl)-2-piperazineacetamide
CID 16115113
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (CID 3205766) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C4N3C=CC=C4)C5=CC=C(C=C5)F.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is YHBNNVFFDQRZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-16-7-5-15(6-8-16)20-21(25-10-2-1-3-19(25)24-20)23-12-14-4-9-17-18(11-14)27-13-26-17/h1-11,23H,12-13H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 361.40 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3205766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).