8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

C74H74F3N17O4 — CID 157261644

IUPAC8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1
InChIInChI=1S/C28H29FN6O2.C24H22FN5O.C22H23FN6O/c1-18-17-35-26(32-18)22(19-3-5-20(6-4-19)27(36)34-12-10-33(2)11-13-34)15-30-28(35)31-16-23-21-9-14-37-25(21)8-7-24(23)29;1-14-13-30-23(29-14)18(16-4-6-21(26-10-16)15-2-3-15)11-27-24(30)28-12-19-17-8-9-31-22(17)7-5-20(19)25;1-3-7-28-13-15(9-26-28)17-10-24-22(29-12-14(2)27-21(17)29)25-11-18-16-6-8-30-20(16)5-4-19(18)23/h3-8,15,17H,9-14,16H2,1-2H3,(H,30,31);4-7,10-11,13,15H,2-3,8-9,12H2,1H3,(H,27,28);4-5,9-10,12-13H,3,6-8,11H2,1-2H3,(H,24,25)
InChIKeyAXNOGZRDQTUOIF-UHFFFAOYSA-N
MW1322.51 g/mol
LogP12.44
Rot. Bonds16

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

8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157261644) has the molecular formula C74H74F3N17O4 and a molecular weight of 1322.51 g/mol. Its IUPAC name is 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID157261644
Molecular FormulaC74H74F3N17O4
Molecular Weight1322.51 g/mol
Exact Mass1321.61
IUPAC Name8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1
InChIInChI=1S/C28H29FN6O2.C24H22FN5O.C22H23FN6O/c1-18-17-35-26(32-18)22(19-3-5-20(6-4-19)27(36)34-12-10-33(2)11-13-34)15-30-28(35)31-16-23-21-9-14-37-25(21)8-7-24(23)29;1-14-13-30-23(29-14)18(16-4-6-21(26-10-16)15-2-3-15)11-27-24(30)28-12-19-17-8-9-31-22(17)7-5-20(19)25;1-3-7-28-13-15(9-26-28)17-10-24-22(29-12-14(2)27-21(17)29)25-11-18-16-6-8-30-20(16)5-4-19(18)23/h3-8,15,17H,9-14,16H2,1-2H3,(H,30,31);4-7,10-11,13,15H,2-3,8-9,12H2,1H3,(H,27,28);4-5,9-10,12-13H,3,6-8,11H2,1-2H3,(H,24,25)
InChIKeyAXNOGZRDQTUOIF-UHFFFAOYSA-N
XLogP12.44
TPSA208.61 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms98
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.51
LogP ≤ 512.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 157261644) is 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is CCCn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C4CC4)nc3)c2n1.
What is the InChIKey of 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is AXNOGZRDQTUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O2.C24H22FN5O.C22H23FN6O/c1-18-17-35-26(32-18)22(19-3-5-20(6-4-19)27(36)34-12-10-33(2)11-13-34)15-30-28(35)31-16-23-21-9-14-37-25(21)8-7-24(23)29;1-14-13-30-23(29-14)18(16-4-6-21(26-10-16)15-2-3-15)11-27-24(30)28-12-19-17-8-9-31-22(17)7-5-20(19)25;1-3-7-28-13-15(9-26-28)17-10-24-22(29-12-14(2)27-21(17)29)25-11-18-16-6-8-30-20(16)5-4-19(18)23/h3-8,15,17H,9-14,16H2,1-2H3,(H,30,31);4-7,10-11,13,15H,2-3,8-9,12H2,1H3,(H,27,28);4-5,9-10,12-13H,3,6-8,11H2,1-2H3,(H,24,25).
What are the key properties of 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1322.51 g/mol, XLogP of 12.44, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157261644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).