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

C22H17FN6O2 — CID 139381725

IUPAC5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(N)=O)nc12
InChIInChI=1S/C22H17FN6O2/c1-12-13(3-2-7-25-12)16-10-27-22(29-11-18(20(24)30)28-21(16)29)26-9-15-14-6-8-31-19(14)5-4-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,26,27)
InChIKeySMHLMPSZVTVQDP-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.70
Rot. Bonds5

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

5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 139381725) has the molecular formula C22H17FN6O2 and a molecular weight of 416.42 g/mol. Its IUPAC name is 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID139381725
Molecular FormulaC22H17FN6O2
Molecular Weight416.42 g/mol
Exact Mass416.14
IUPAC Name5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(N)=O)nc12
InChIInChI=1S/C22H17FN6O2/c1-12-13(3-2-7-25-12)16-10-27-22(29-11-18(20(24)30)28-21(16)29)26-9-15-14-6-8-31-19(14)5-4-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,26,27)
InChIKeySMHLMPSZVTVQDP-UHFFFAOYSA-N
XLogP3.70
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide (CID 139381725) is 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide is Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cc(C(N)=O)nc12.
What is the InChIKey of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is SMHLMPSZVTVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2/c1-12-13(3-2-7-25-12)16-10-27-22(29-11-18(20(24)30)28-21(16)29)26-9-15-14-6-8-31-19(14)5-4-17(15)23/h2-8,10-11H,9H2,1H3,(H2,24,30)(H,26,27).
What are the key properties of 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide?
5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 416.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 139381725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).