8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide

C22H22FN7O2 — CID 155788056

IUPAC8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C22H22FN7O2/c1-12-8-18(29(3)28-12)15-10-26-22(30-11-17(21(31)24-2)27-20(15)30)25-9-14-13-6-7-32-19(13)5-4-16(14)23/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,24,31)(H,25,26)
InChIKeyCELMXBCHNYHKML-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.48
Rot. Bonds5

About 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide

8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 155788056) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID155788056
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C22H22FN7O2/c1-12-8-18(29(3)28-12)15-10-26-22(30-11-17(21(31)24-2)27-20(15)30)25-9-14-13-6-7-32-19(13)5-4-16(14)23/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,24,31)(H,25,26)
InChIKeyCELMXBCHNYHKML-UHFFFAOYSA-N
XLogP2.48
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide (CID 155788056) is 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide is CNC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is CELMXBCHNYHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-12-8-18(29(3)28-12)15-10-26-22(30-11-17(21(31)24-2)27-20(15)30)25-9-14-13-6-7-32-19(13)5-4-16(14)23/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,24,31)(H,25,26).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?
8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 155788056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).