furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone

C24H26N6O3 — CID 91952722

IUPACfuran-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccn2)CC1
InChIInChI=1S/C24H26N6O3/c31-22(28-12-14-29(15-13-28)23(32)20-8-6-16-33-20)18-17-26-24(30-10-4-1-5-11-30)27-21(18)19-7-2-3-9-25-19/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyWHKNQGNEYWDOFD-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.72
Rot. Bonds4

About furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 91952722) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone
PubChem CID91952722
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Namefuran-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccn2)CC1
InChIInChI=1S/C24H26N6O3/c31-22(28-12-14-29(15-13-28)23(32)20-8-6-16-33-20)18-17-26-24(30-10-4-1-5-11-30)27-21(18)19-7-2-3-9-25-19/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyWHKNQGNEYWDOFD-UHFFFAOYSA-N
XLogP2.72
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
azepan-1-yl(furan-2-yl)methanone
CID 5200992
4-amino-N-benzyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 53143954
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
furan-2-yl-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3233080
[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238559
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone (CID 91952722) is furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccn2)CC1.
What is the InChIKey of furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WHKNQGNEYWDOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c31-22(28-12-14-29(15-13-28)23(32)20-8-6-16-33-20)18-17-26-24(30-10-4-1-5-11-30)27-21(18)19-7-2-3-9-25-19/h2-3,6-9,16-17H,1,4-5,10-15H2.
What are the key properties of furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 446.51 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-piperidin-1-yl-4-pyridin-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91952722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).