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

C20H18FN7O2 — CID 155788001

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cn1
InChIInChI=1S/C20H18FN7O2/c1-11-8-27(10-25-11)16-7-24-20(28-9-15(18(22)29)26-19(16)28)23-6-13-12-4-5-30-17(12)3-2-14(13)21/h2-3,7-10H,4-6H2,1H3,(H2,22,29)(H,23,24)
InChIKeyWEZXQKRCSWEEJV-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.01
Rot. Bonds5

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 155788001) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID155788001
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cn1
InChIInChI=1S/C20H18FN7O2/c1-11-8-27(10-25-11)16-7-24-20(28-9-15(18(22)29)26-19(16)28)23-6-13-12-4-5-30-17(12)3-2-14(13)21/h2-3,7-10H,4-6H2,1H3,(H2,22,29)(H,23,24)
InChIKeyWEZXQKRCSWEEJV-UHFFFAOYSA-N
XLogP2.01
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.01
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-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide (CID 155788001) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-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-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(N)=O)nc23)cn1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is WEZXQKRCSWEEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-11-8-27(10-25-11)16-7-24-20(28-9-15(18(22)29)26-19(16)28)23-6-13-12-4-5-30-17(12)3-2-14(13)21/h2-3,7-10H,4-6H2,1H3,(H2,22,29)(H,23,24).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 2.01, 5 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-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 155788001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).