1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine

C76H77F3N18O4 — CID 157200219

IUPAC1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCCCC4)nc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCN(C)CC4)nc3C)c2n1
InChIInChI=1S/C27H30FN7O.C26H27FN6O.C23H20FN5O2/c1-17-16-35-26(31-17)22(19-4-7-25(32-18(19)2)34-11-9-33(3)10-12-34)15-30-27(35)29-14-21-20-8-13-36-24(20)6-5-23(21)28;1-17-16-33-25(31-17)20(18-5-8-24(28-13-18)32-10-3-2-4-11-32)14-29-26(33)30-15-21-19-9-12-34-23(19)7-6-22(21)27;1-13-15(4-3-8-25-13)18-11-27-23(29-12-20(14(2)30)28-22(18)29)26-10-17-16-7-9-31-21(16)6-5-19(17)24/h4-7,15-16H,8-14H2,1-3H3,(H,29,30);5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,29,30);3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27)
InChIKeyAQSDOARTKFTOIK-UHFFFAOYSA-N
MW1363.57 g/mol
LogP12.61
Rot. Bonds15

About 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine

1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157200219) has the molecular formula C76H77F3N18O4 and a molecular weight of 1363.57 g/mol. Its IUPAC name is 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID157200219
Molecular FormulaC76H77F3N18O4
Molecular Weight1363.57 g/mol
Exact Mass1362.63
IUPAC Name1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCCCC4)nc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCN(C)CC4)nc3C)c2n1
InChIInChI=1S/C27H30FN7O.C26H27FN6O.C23H20FN5O2/c1-17-16-35-26(31-17)22(19-4-7-25(32-18(19)2)34-11-9-33(3)10-12-34)15-30-27(35)29-14-21-20-8-13-36-24(20)6-5-23(21)28;1-17-16-33-25(31-17)20(18-5-8-24(28-13-18)32-10-3-2-4-11-32)14-29-26(33)30-15-21-19-9-12-34-23(19)7-6-22(21)27;1-13-15(4-3-8-25-13)18-11-27-23(29-12-20(14(2)30)28-22(18)29)26-10-17-16-7-9-31-21(16)6-5-19(17)24/h4-7,15-16H,8-14H2,1-3H3,(H,29,30);5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,29,30);3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27)
InChIKeyAQSDOARTKFTOIK-UHFFFAOYSA-N
XLogP12.61
TPSA219.81 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.57
LogP ≤ 512.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-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-[5-[(2-Fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 138706911
US11091495, Example 4
CID 139371731
US11091495, Example 2
CID 139381716
US11091495, Example 12
CID 139381725
US11091495, Example 11
CID 151891326
US11091495, Example 138
CID 155676923
US11091495, Example 13
CID 155676991
US11091495, Example 137
CID 155676996
US11091495, Example 21
CID 155787982
US11091495, Example 16
CID 155787998
US11091495, Example 17
CID 155788001
US11091495, Example 6
CID 155788051

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine (CID 157200219) is 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is CC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCCCC4)nc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCN(C)CC4)nc3C)c2n1.
What is the InChIKey of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is AQSDOARTKFTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O.C26H27FN6O.C23H20FN5O2/c1-17-16-35-26(31-17)22(19-4-7-25(32-18(19)2)34-11-9-33(3)10-12-34)15-30-27(35)29-14-21-20-8-13-36-24(20)6-5-23(21)28;1-17-16-33-25(31-17)20(18-5-8-24(28-13-18)32-10-3-2-4-11-32)14-29-26(33)30-15-21-19-9-12-34-23(19)7-6-22(21)27;1-13-15(4-3-8-25-13)18-11-27-23(29-12-20(14(2)30)28-22(18)29)26-10-17-16-7-9-31-21(16)6-5-19(17)24/h4-7,15-16H,8-14H2,1-3H3,(H,29,30);5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,29,30);3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27).
What are the key properties of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine?
1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1363.57 g/mol, XLogP of 12.61, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]ethanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(6-piperidin-1-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157200219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).