8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

C82H80F4N22O4 — CID 157418969

IUPAC8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn[nH]c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn4c3CCC4)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CC3)c2n1
InChIInChI=1S/C22H21FN6O.C21H21FN6O.C20H19FN6O.C19H19FN4O/c1-13-12-28-21(27-13)17(16-11-26-29-7-2-3-19(16)29)10-25-22(28)24-9-15-14-6-8-30-20(14)5-4-18(15)23;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-11-10-27-19(25-11)16(14-9-24-26-12(14)2)8-23-20(27)22-7-15-13-5-6-28-18(13)4-3-17(15)21;1-11-10-24-18(23-11)14(12-2-3-12)8-21-19(24)22-9-15-13-6-7-25-17(13)5-4-16(15)20/h4-5,10-12H,2-3,6-9H2,1H3,(H,24,25);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24);3-4,8-10H,5-7H2,1-2H3,(H,22,23)(H,24,26);4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyBPEKQRXODQOGIO-UHFFFAOYSA-N
MW1513.68 g/mol
LogP13.99
Rot. Bonds16

About 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157418969) has the molecular formula C82H80F4N22O4 and a molecular weight of 1513.68 g/mol. Its IUPAC name is 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID157418969
Molecular FormulaC82H80F4N22O4
Molecular Weight1513.68 g/mol
Exact Mass1512.67
IUPAC Name8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn[nH]c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn4c3CCC4)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CC3)c2n1
InChIInChI=1S/C22H21FN6O.C21H21FN6O.C20H19FN6O.C19H19FN4O/c1-13-12-28-21(27-13)17(16-11-26-29-7-2-3-19(16)29)10-25-22(28)24-9-15-14-6-8-30-20(14)5-4-18(15)23;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-11-10-27-19(25-11)16(14-9-24-26-12(14)2)8-23-20(27)22-7-15-13-5-6-28-18(13)4-3-17(15)21;1-11-10-24-18(23-11)14(12-2-3-12)8-21-19(24)22-9-15-13-6-7-25-17(13)5-4-16(15)20/h4-5,10-12H,2-3,6-9H2,1H3,(H,24,25);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24);3-4,8-10H,5-7H2,1-2H3,(H,22,23)(H,24,26);4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22)
InChIKeyBPEKQRXODQOGIO-UHFFFAOYSA-N
XLogP13.99
TPSA270.12 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms112
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001513.68
LogP ≤ 513.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-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-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 157418969) is 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cn[nH]c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn4c3CCC4)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is BPEKQRXODQOGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O.C21H21FN6O.C20H19FN6O.C19H19FN4O/c1-13-12-28-21(27-13)17(16-11-26-29-7-2-3-19(16)29)10-25-22(28)24-9-15-14-6-8-30-20(14)5-4-18(15)23;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-11-10-27-19(25-11)16(14-9-24-26-12(14)2)8-23-20(27)22-7-15-13-5-6-28-18(13)4-3-17(15)21;1-11-10-24-18(23-11)14(12-2-3-12)8-21-19(24)22-9-15-13-6-7-25-17(13)5-4-16(15)20/h4-5,10-12H,2-3,6-9H2,1H3,(H,24,25);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24);3-4,8-10H,5-7H2,1-2H3,(H,22,23)(H,24,26);4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22).
What are the key properties of 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1513.68 g/mol, XLogP of 13.99, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157418969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).