5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

C23H24FN7O2 — CID 155787998

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cnn1C(C)C
InChIInChI=1S/C23H24FN7O2/c1-12(2)31-13(3)15(10-28-31)17-9-27-23(30-11-19(21(25)32)29-22(17)30)26-8-16-14-6-7-33-20(14)5-4-18(16)24/h4-5,9-12H,6-8H2,1-3H3,(H2,25,32)(H,26,27)
InChIKeyQUZHMSFJDYPQHN-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.27
Rot. Bonds6

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 155787998) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID155787998
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cnn1C(C)C
InChIInChI=1S/C23H24FN7O2/c1-12(2)31-13(3)15(10-28-31)17-9-27-23(30-11-19(21(25)32)29-22(17)30)26-8-16-14-6-7-33-20(14)5-4-18(16)24/h4-5,9-12H,6-8H2,1-3H3,(H2,25,32)(H,26,27)
InChIKeyQUZHMSFJDYPQHN-UHFFFAOYSA-N
XLogP3.27
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (CID 155787998) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cnn1C(C)C.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is QUZHMSFJDYPQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-12(2)31-13(3)15(10-28-31)17-9-27-23(30-11-19(21(25)32)29-22(17)30)26-8-16-14-6-7-33-20(14)5-4-18(16)24/h4-5,9-12H,6-8H2,1-3H3,(H2,25,32)(H,26,27).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 155787998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).