[4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C24H22N6O — CID 59252379

IUPAC[4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)CC1
InChIInChI=1S/C24H22N6O/c31-24(19-7-4-10-25-13-19)30-11-8-18(9-12-30)23-28-16-21(29-23)20-14-26-22(27-15-20)17-5-2-1-3-6-17/h1-7,10,13-16,18H,8-9,11-12H2,(H,28,29)
InChIKeyVCKJLGPNDUAGIY-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.95
Rot. Bonds4

About [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 59252379) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID59252379
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name[4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)CC1
InChIInChI=1S/C24H22N6O/c31-24(19-7-4-10-25-13-19)30-11-8-18(9-12-30)23-28-16-21(29-23)20-14-26-22(27-15-20)17-5-2-1-3-6-17/h1-7,10,13-16,18H,8-9,11-12H2,(H,28,29)
InChIKeyVCKJLGPNDUAGIY-UHFFFAOYSA-N
XLogP3.95
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 59252379) is [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(c2ncc(-c3cnc(-c4ccccc4)nc3)[nH]2)CC1.
What is the InChIKey of [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is VCKJLGPNDUAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c31-24(19-7-4-10-25-13-19)30-11-8-18(9-12-30)23-28-16-21(29-23)20-14-26-22(27-15-20)17-5-2-1-3-6-17/h1-7,10,13-16,18H,8-9,11-12H2,(H,28,29).
What are the key properties of [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 410.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 59252379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).