2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine

C22H21F4N7O — CID 155383023

IUPAC2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCC(N)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(F)(F)F)nn3C)c2n1
InChIInChI=1S/C22H21F4N7O/c1-11(27)16-10-33-20(30-16)14(17-7-19(22(24,25)26)31-32(17)2)9-29-21(33)28-8-13-12-5-6-34-18(12)4-3-15(13)23/h3-4,7,9-11H,5-6,8,27H2,1-2H3,(H,28,29)
InChIKeyBNMLZLDNWDTKQZ-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.85
Rot. Bonds5

About 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine

2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155383023) has the molecular formula C22H21F4N7O and a molecular weight of 475.45 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155383023
Molecular FormulaC22H21F4N7O
Molecular Weight475.45 g/mol
Exact Mass475.17
IUPAC Name2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCC(N)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(F)(F)F)nn3C)c2n1
InChIInChI=1S/C22H21F4N7O/c1-11(27)16-10-33-20(30-16)14(17-7-19(22(24,25)26)31-32(17)2)9-29-21(33)28-8-13-12-5-6-34-18(12)4-3-15(13)23/h3-4,7,9-11H,5-6,8,27H2,1-2H3,(H,28,29)
InChIKeyBNMLZLDNWDTKQZ-UHFFFAOYSA-N
XLogP3.85
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine (CID 155383023) is 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine is CC(N)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C(F)(F)F)nn3C)c2n1.
What is the InChIKey of 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is BNMLZLDNWDTKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N7O/c1-11(27)16-10-33-20(30-16)14(17-7-19(22(24,25)26)31-32(17)2)9-29-21(33)28-8-13-12-5-6-34-18(12)4-3-15(13)23/h3-4,7,9-11H,5-6,8,27H2,1-2H3,(H,28,29).
What are the key properties of 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine?
2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 475.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155383023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).