8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

C74H76ClF3N16O4 — CID 158799243

IUPAC8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3c(C)nn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(C)N4CCCC4)cc3)c2n1
InChIInChI=1S/C28H30FN5O.C24H27FN6O.C22H19ClFN5O2/c1-18-17-34-27(32-18)23(21-7-5-20(6-8-21)19(2)33-12-3-4-13-33)15-30-28(34)31-16-24-22-11-14-35-26(22)10-9-25(24)29;1-13(2)31-16(5)22(15(4)29-31)19-11-27-24(30-12-14(3)28-23(19)30)26-10-18-17-8-9-32-21(17)7-6-20(18)25;1-12-11-29-21(28-12)16(14-8-25-20(30-2)7-17(14)23)10-27-22(29)26-9-15-13-5-6-31-19(13)4-3-18(15)24/h5-10,15,17,19H,3-4,11-14,16H2,1-2H3,(H,30,31);6-7,11-13H,8-10H2,1-5H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27)
InChIKeyITGOGNLVDYVBPX-UHFFFAOYSA-N
MW1345.98 g/mol
LogP14.78
Rot. Bonds16

About 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158799243) has the molecular formula C74H76ClF3N16O4 and a molecular weight of 1345.98 g/mol. Its IUPAC name is 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID158799243
Molecular FormulaC74H76ClF3N16O4
Molecular Weight1345.98 g/mol
Exact Mass1344.59
IUPAC Name8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCOc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3c(C)nn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(C)N4CCCC4)cc3)c2n1
InChIInChI=1S/C28H30FN5O.C24H27FN6O.C22H19ClFN5O2/c1-18-17-34-27(32-18)23(21-7-5-20(6-8-21)19(2)33-12-3-4-13-33)15-30-28(34)31-16-24-22-11-14-35-26(22)10-9-25(24)29;1-13(2)31-16(5)22(15(4)29-31)19-11-27-24(30-12-14(3)28-23(19)30)26-10-18-17-8-9-32-21(17)7-6-20(18)25;1-12-11-29-21(28-12)16(14-8-25-20(30-2)7-17(14)23)10-27-22(29)26-9-15-13-5-6-31-19(13)4-3-18(15)24/h5-10,15,17,19H,3-4,11-14,16H2,1-2H3,(H,30,31);6-7,11-13H,8-10H2,1-5H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27)
InChIKeyITGOGNLVDYVBPX-UHFFFAOYSA-N
XLogP14.78
TPSA197.53 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.98
LogP ≤ 514.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Related Compounds

US11091495, Example 101
CID 155788138
US12252493, Example 43
CID 155369140
US12252493, Example 42
CID 155369144
US12252493, Example 10
CID 155369155
US12252493, Example 25
CID 155369177
US12252493, Example 26
CID 155369187
US12252493, Example 40
CID 155369214
US12252493, Example 15
CID 155382873
US12252493, Example 18
CID 155382875
US12252493, Example 36
CID 155383023
US12252493, Example 32
CID 155383025
5-[3-[4-Amino-5-[1-[8-amino-1-(6-methoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-3-yl]ethyl]-3-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-5-ium-1-yl]prop-1-enyl]-3-(2,6-difluoro-3-phenylmethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-4-amine
CID 123310586

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (CID 158799243) is 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is COc1cc(Cl)c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cn1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3c(C)nn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(C)N4CCCC4)cc3)c2n1.
What is the InChIKey of 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is ITGOGNLVDYVBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O.C24H27FN6O.C22H19ClFN5O2/c1-18-17-34-27(32-18)23(21-7-5-20(6-8-21)19(2)33-12-3-4-13-33)15-30-28(34)31-16-24-22-11-14-35-26(22)10-9-25(24)29;1-13(2)31-16(5)22(15(4)29-31)19-11-27-24(30-12-14(3)28-23(19)30)26-10-18-17-8-9-32-21(17)7-6-20(18)25;1-12-11-29-21(28-12)16(14-8-25-20(30-2)7-17(14)23)10-27-22(29)26-9-15-13-5-6-31-19(13)4-3-18(15)24/h5-10,15,17,19H,3-4,11-14,16H2,1-2H3,(H,30,31);6-7,11-13H,8-10H2,1-5H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27).
What are the key properties of 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?
8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1345.98 g/mol, XLogP of 14.78, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-6-methoxy-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-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-[4-(1-pyrrolidin-1-ylethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158799243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).