5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride

C54H57ClF2N16O3 — CID 157100617

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride
SMILESCc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.Cc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12.Cl
InChIInChI=1S/C27H29FN8O2.C27H27FN8O.ClH/c1-16-17(3-6-24(32-16)35-10-8-34(2)9-11-35)20-14-31-27(36-15-22(25(29)37)33-26(20)36)30-13-19-18-7-12-38-23(18)5-4-21(19)28;1-17-19(3-6-25(32-17)35-10-8-34(2)9-11-35)22-15-31-27(36-16-18(13-29)33-26(22)36)30-14-21-20-7-12-37-24(20)5-4-23(21)28;/h3-6,14-15H,7-13H2,1-2H3,(H2,29,37)(H,30,31);3-6,15-16H,7-12,14H2,1-2H3,(H,30,31);1H
InChIKeyKROVWAGAGKHPJQ-UHFFFAOYSA-N
MW1051.61 g/mol
LogP6.47
Rot. Bonds11

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride (PubChem CID 157100617) has the molecular formula C54H57ClF2N16O3 and a molecular weight of 1051.61 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride
PubChem CID157100617
Molecular FormulaC54H57ClF2N16O3
Molecular Weight1051.61 g/mol
Exact Mass1050.45
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride
SMILESCc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.Cc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12.Cl
InChIInChI=1S/C27H29FN8O2.C27H27FN8O.ClH/c1-16-17(3-6-24(32-16)35-10-8-34(2)9-11-35)20-14-31-27(36-15-22(25(29)37)33-26(20)36)30-13-19-18-7-12-38-23(18)5-4-21(19)28;1-17-19(3-6-25(32-17)35-10-8-34(2)9-11-35)22-15-31-27(36-16-18(13-29)33-26(22)36)30-14-21-20-7-12-37-24(20)5-4-23(21)28;/h3-6,14-15H,7-13H2,1-2H3,(H2,29,37)(H,30,31);3-6,15-16H,7-12,14H2,1-2H3,(H,30,31);1H
InChIKeyKROVWAGAGKHPJQ-UHFFFAOYSA-N
XLogP6.47
TPSA208.52 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.61
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

6-[5-[(2-Fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 138706911
6-[5-(2-Fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 138707020
US10676479, Example 87
CID 139346169
US10676479, Example 81
CID 139346231
8-(2-((Dimethylamino)methyl)pyrimidin-5-yl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 139371000
US11091495, Example 2
CID 139381716
US11091495, Example 12
CID 139381725
US11091495, Example 11
CID 151891326
5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)-8-(1-methyl-3-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155676915
US11091495, Example 138
CID 155676923
US11091495, Example 105
CID 155676929
US11091495, Example 136
CID 155676932

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride (CID 157100617) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride is Cc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.Cc1nc(N2CCN(C)CC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12.Cl.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride?
The InChIKey is KROVWAGAGKHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8O2.C27H27FN8O.ClH/c1-16-17(3-6-24(32-16)35-10-8-34(2)9-11-35)20-14-31-27(36-15-22(25(29)37)33-26(20)36)30-13-19-18-7-12-38-23(18)5-4-21(19)28;1-17-19(3-6-25(32-17)35-10-8-34(2)9-11-35)22-15-31-27(36-16-18(13-29)33-26(22)36)30-14-21-20-7-12-37-24(20)5-4-23(21)28;/h3-6,14-15H,7-13H2,1-2H3,(H2,29,37)(H,30,31);3-6,15-16H,7-12,14H2,1-2H3,(H,30,31);1H.
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride has a molecular weight of 1051.61 g/mol, XLogP of 6.47, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 157100617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).