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

C24H21N5OS — CID 46954762

IUPAC[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C24H21N5OS/c30-24(21-5-3-15-31-21)29-13-8-18(9-14-29)22-19(17-6-11-25-12-7-17)16-27-23(28-22)20-4-1-2-10-26-20/h1-7,10-12,15-16,18H,8-9,13-14H2
InChIKeySUZWXHIKQXMRPV-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.68
Rot. Bonds4

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

[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46954762) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID46954762
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1
InChIInChI=1S/C24H21N5OS/c30-24(21-5-3-15-31-21)29-13-8-18(9-14-29)22-19(17-6-11-25-12-7-17)16-27-23(28-22)20-4-1-2-10-26-20/h1-7,10-12,15-16,18H,8-9,13-14H2
InChIKeySUZWXHIKQXMRPV-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-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46954753
pyridin-3-yl-[4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965218
pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590860
1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 51583286
2-methyl-1-[3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 46965163
2-methyl-1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51584074
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 16669455
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965192
[4-(5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 95798482
1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194
[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 46965180
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
CID 16669854

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 46954762) is [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1.
What is the InChIKey of [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SUZWXHIKQXMRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c30-24(21-5-3-15-31-21)29-13-8-18(9-14-29)22-19(17-6-11-25-12-7-17)16-27-23(28-22)20-4-1-2-10-26-20/h1-7,10-12,15-16,18H,8-9,13-14H2.
What are the key properties of [4-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(2-pyridin-2-yl-5-pyridin-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-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46954762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).