N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol

C49H48N20O4 — CID 157081772

IUPACN-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol
SMILESCc1nc(CCc2nccnc2CO)c2cc[nH]c2n1.OCc1nccnc1CNc1ncnc2nc[nH]c12.c1coc(CC2CNc3ncnc4ncn2c34)c1.c1coc(CNc2cccc3nccn23)c1
InChIInChI=1S/C14H15N5O.C12H11N5O.C12H11N3O.C11H11N7O/c1-9-18-11(10-4-5-17-14(10)19-9)2-3-12-13(8-20)16-7-6-15-12;1-2-9(18-3-1)4-8-5-13-11-10-12(15-6-14-11)16-7-17(8)10;1-4-11-13-6-7-15(11)12(5-1)14-9-10-3-2-8-16-10;19-4-8-7(12-1-2-13-8)3-14-10-9-11(16-5-15-9)18-6-17-10/h4-7,20H,2-3,8H2,1H3,(H,17,18,19);1-3,6-8H,4-5H2,(H,13,14,15);1-8,14H,9H2;1-2,5-6,19H,3-4H2,(H2,14,15,16,17,18)
InChIKeyADPZWPXBVZXABX-UHFFFAOYSA-N
MW981.06 g/mol
LogP5.75
Rot. Bonds13

About N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol

N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol (PubChem CID 157081772) has the molecular formula C49H48N20O4 and a molecular weight of 981.06 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol
PubChem CID157081772
Molecular FormulaC49H48N20O4
Molecular Weight981.06 g/mol
Exact Mass980.42
IUPAC NameN-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol
SMILESCc1nc(CCc2nccnc2CO)c2cc[nH]c2n1.OCc1nccnc1CNc1ncnc2nc[nH]c12.c1coc(CC2CNc3ncnc4ncn2c34)c1.c1coc(CNc2cccc3nccn23)c1
InChIInChI=1S/C14H15N5O.C12H11N5O.C12H11N3O.C11H11N7O/c1-9-18-11(10-4-5-17-14(10)19-9)2-3-12-13(8-20)16-7-6-15-12;1-2-9(18-3-1)4-8-5-13-11-10-12(15-6-14-11)16-7-17(8)10;1-4-11-13-6-7-15(11)12(5-1)14-9-10-3-2-8-16-10;19-4-8-7(12-1-2-13-8)3-14-10-9-11(16-5-15-9)18-6-17-10/h4-7,20H,2-3,8H2,1H3,(H,17,18,19);1-3,6-8H,4-5H2,(H,13,14,15);1-8,14H,9H2;1-2,5-6,19H,3-4H2,(H2,14,15,16,17,18)
InChIKeyADPZWPXBVZXABX-UHFFFAOYSA-N
XLogP5.75
TPSA311.32 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500981.06
LogP ≤ 55.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol 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

Cdk-IN-13
CID 169494193
3-[6-fluoro-7-[7-[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[5,4-c]pyridin-7-yl]furan-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,7]naphthyridin-5-yl]-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
CID 145037625
ethyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidine-1-carboxylate;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(4-fluorophenyl)-3-[3-(trifluoromethoxy)propyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158403835
N-(furan-2-ylmethyl)-2-phenyl-7H-purin-6-amine;3-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-3-ylethyl)-7H-purin-6-amine;N-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 162055386
3-cyclohexyl-3-[[5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)pyrimidin-4-yl]amino]-2-methylpropanoic acid
CID 169679294
Diacetatobis[2-(2-furyl)-1H-imidazo[4,5-f](1,10-phenanthroline)cadmium(II)]
CID 139071137
6-(furan-2-yl)-9-[(1S)-1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine
CID 68575116
2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine
CID 69150202
6-(furan-2-yl)-9-[1-(1H-imidazol-2-yl)-2-phenylethyl]purin-2-amine
CID 69215794
2-[4-[9-Cyclopentyl-6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
CID 90333030
2-[4-[9-Cyclopentyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]piperazin-1-yl]ethanol
CID 90333936
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 90701143

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol?
The IUPAC name of N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol (CID 157081772) is N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol.
What is the SMILES notation for N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol?
The canonical SMILES for N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol is Cc1nc(CCc2nccnc2CO)c2cc[nH]c2n1.OCc1nccnc1CNc1ncnc2nc[nH]c12.c1coc(CC2CNc3ncnc4ncn2c34)c1.c1coc(CNc2cccc3nccn23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol?
The InChIKey is ADPZWPXBVZXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.C12H11N5O.C12H11N3O.C11H11N7O/c1-9-18-11(10-4-5-17-14(10)19-9)2-3-12-13(8-20)16-7-6-15-12;1-2-9(18-3-1)4-8-5-13-11-10-12(15-6-14-11)16-7-17(8)10;1-4-11-13-6-7-15(11)12(5-1)14-9-10-3-2-8-16-10;19-4-8-7(12-1-2-13-8)3-14-10-9-11(16-5-15-9)18-6-17-10/h4-7,20H,2-3,8H2,1H3,(H,17,18,19);1-3,6-8H,4-5H2,(H,13,14,15);1-8,14H,9H2;1-2,5-6,19H,3-4H2,(H2,14,15,16,17,18).
What are the key properties of N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol?
N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol has a molecular weight of 981.06 g/mol, XLogP of 5.75, 13 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine;11-(furan-2-ylmethyl)-1,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene;[3-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]pyrazin-2-yl]methanol;[3-[(7H-purin-6-ylamino)methyl]pyrazin-2-yl]methanol is sourced from PubChem (CID 157081772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).