1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one

C25H24FN5O2 — CID 139381858

IUPAC1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)C(C)C)nc12
InChIInChI=1S/C25H24FN5O2/c1-14(2)23(32)21-13-31-24(30-21)19(16-5-4-9-27-15(16)3)12-29-25(31)28-11-18-17-8-10-33-22(17)7-6-20(18)26/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,28,29)
InChIKeyNYCSLYYDTDBDHQ-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.62
Rot. Bonds6

About 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one

1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one (PubChem CID 139381858) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one
PubChem CID139381858
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)C(C)C)nc12
InChIInChI=1S/C25H24FN5O2/c1-14(2)23(32)21-13-31-24(30-21)19(16-5-4-9-27-15(16)3)12-29-25(31)28-11-18-17-8-10-33-22(17)7-6-20(18)26/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,28,29)
InChIKeyNYCSLYYDTDBDHQ-UHFFFAOYSA-N
XLogP4.62
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one (CID 139381858) is 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one is Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)C(C)C)nc12.
What is the InChIKey of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one?
The InChIKey is NYCSLYYDTDBDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-14(2)23(32)21-13-31-24(30-21)19(16-5-4-9-27-15(16)3)12-29-25(31)28-11-18-17-8-10-33-22(17)7-6-20(18)26/h4-7,9,12-14H,8,10-11H2,1-3H3,(H,28,29).
What are the key properties of 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one?
1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one has a molecular weight of 445.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 139381858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).