[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C24H21N5OS — CID 46954753

IUPAC[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C24H21N5OS/c30-24(21-2-1-15-31-21)29-13-7-18(8-14-29)22-20(17-3-9-25-10-4-17)16-27-23(28-22)19-5-11-26-12-6-19/h1-6,9-12,15-16,18H,7-8,13-14H2
InChIKeyAOYPWPYFLZFJLG-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.68
Rot. Bonds4

About [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46954753) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID46954753
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C24H21N5OS/c30-24(21-2-1-15-31-21)29-13-7-18(8-14-29)22-20(17-3-9-25-10-4-17)16-27-23(28-22)19-5-11-26-12-6-19/h1-6,9-12,15-16,18H,7-8,13-14H2
InChIKeyAOYPWPYFLZFJLG-UHFFFAOYSA-N
XLogP4.68
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954762
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965192
1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194
[4-(5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 95798482
pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965218
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
CID 16669854
1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669837
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 16669455
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 46965180
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 26359525
[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 42191212

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 46954753) is [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1.
What is the InChIKey of [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is AOYPWPYFLZFJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c30-24(21-2-1-15-31-21)29-13-7-18(8-14-29)22-20(17-3-9-25-10-4-17)16-27-23(28-22)19-5-11-26-12-6-19/h1-6,9-12,15-16,18H,7-8,13-14H2.
What are the key properties of [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 427.53 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46954753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).