N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine

C25H26FN7O — CID 139346187

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN1CCN(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cncc34)cn2)CC1
InChIInChI=1S/C25H26FN7O/c1-31-7-9-32(10-8-31)24-5-2-17(12-28-24)19-13-29-25(33-16-27-15-22(19)33)30-14-20-18-6-11-34-23(18)4-3-21(20)26/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,29,30)
InChIKeyPTEACBPVIXPKRL-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.23
Rot. Bonds5

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346187) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346187
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN1CCN(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cncc34)cn2)CC1
InChIInChI=1S/C25H26FN7O/c1-31-7-9-32(10-8-31)24-5-2-17(12-28-24)19-13-29-25(33-16-27-15-22(19)33)30-14-20-18-6-11-34-23(18)4-3-21(20)26/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,29,30)
InChIKeyPTEACBPVIXPKRL-UHFFFAOYSA-N
XLogP3.23
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346187) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine is CN1CCN(c2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cncc34)cn2)CC1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is PTEACBPVIXPKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c1-31-7-9-32(10-8-31)24-5-2-17(12-28-24)19-13-29-25(33-16-27-15-22(19)33)30-14-20-18-6-11-34-23(18)4-3-21(20)26/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,29,30).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 459.53 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).