N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine

C24H23N7O — CID 139346258

IUPACN-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESc1cc(CNc2ncc(-c3ccc(N4CCNCC4)nc3)c3cncn23)c2ccoc2c1
InChIInChI=1S/C24H23N7O/c1-2-17(19-6-11-32-22(19)3-1)13-28-24-29-14-20(21-15-26-16-31(21)24)18-4-5-23(27-12-18)30-9-7-25-8-10-30/h1-6,11-12,14-16,25H,7-10,13H2,(H,28,29)
InChIKeyIVOFNUACKQVXGT-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.56
Rot. Bonds5

About N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine

N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346258) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346258
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
SMILESc1cc(CNc2ncc(-c3ccc(N4CCNCC4)nc3)c3cncn23)c2ccoc2c1
InChIInChI=1S/C24H23N7O/c1-2-17(19-6-11-32-22(19)3-1)13-28-24-29-14-20(21-15-26-16-31(21)24)18-4-5-23(27-12-18)30-9-7-25-8-10-30/h1-6,11-12,14-16,25H,7-10,13H2,(H,28,29)
InChIKeyIVOFNUACKQVXGT-UHFFFAOYSA-N
XLogP3.56
TPSA83.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346258) is N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is c1cc(CNc2ncc(-c3ccc(N4CCNCC4)nc3)c3cncn23)c2ccoc2c1.
What is the InChIKey of N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is IVOFNUACKQVXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-2-17(19-6-11-32-22(19)3-1)13-28-24-29-14-20(21-15-26-16-31(21)24)18-4-5-23(27-12-18)30-9-7-25-8-10-30/h1-6,11-12,14-16,25H,7-10,13H2,(H,28,29).
What are the key properties of N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine?
N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 425.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-4-ylmethyl)-8-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).