1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid

C23H23FN8O4 — CID 155369176

IUPAC1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(N)=O)nn3C)c2n1
InChIInChI=1S/C23H23FN8O4/c1-11(28-23(34)35)17-10-32-21(29-17)14(18-7-16(20(25)33)30-31(18)2)9-27-22(32)26-8-13-12-5-6-36-19(12)4-3-15(13)24/h3-4,7,9-11,28H,5-6,8H2,1-2H3,(H2,25,33)(H,26,27)(H,34,35)
InChIKeyVNPZWJVMSUEMAO-UHFFFAOYSA-N
MW494.49 g/mol
LogP2.24
Rot. Bonds7

About 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid

1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid (PubChem CID 155369176) has the molecular formula C23H23FN8O4 and a molecular weight of 494.49 g/mol. Its IUPAC name is 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid
PubChem CID155369176
Molecular FormulaC23H23FN8O4
Molecular Weight494.49 g/mol
Exact Mass494.18
IUPAC Name1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(N)=O)nn3C)c2n1
InChIInChI=1S/C23H23FN8O4/c1-11(28-23(34)35)17-10-32-21(29-17)14(18-7-16(20(25)33)30-31(18)2)9-27-22(32)26-8-13-12-5-6-36-19(12)4-3-15(13)24/h3-4,7,9-11,28H,5-6,8H2,1-2H3,(H2,25,33)(H,26,27)(H,34,35)
InChIKeyVNPZWJVMSUEMAO-UHFFFAOYSA-N
XLogP2.24
TPSA161.69 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid?
The IUPAC name of 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid (CID 155369176) is 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid?
The canonical SMILES for 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid is CC(NC(=O)O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(N)=O)nn3C)c2n1.
What is the InChIKey of 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid?
The InChIKey is VNPZWJVMSUEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O4/c1-11(28-23(34)35)17-10-32-21(29-17)14(18-7-16(20(25)33)30-31(18)2)9-27-22(32)26-8-13-12-5-6-36-19(12)4-3-15(13)24/h3-4,7,9-11,28H,5-6,8H2,1-2H3,(H2,25,33)(H,26,27)(H,34,35).
What are the key properties of 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid?
1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid has a molecular weight of 494.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3-carbamoyl-1-methylpyrazol-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-2-yl]ethylcarbamic acid is sourced from PubChem (CID 155369176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).