4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine

C17H19N5O2 — CID 50981604

IUPAC4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)ncn1
InChIInChI=1S/C17H19N5O2/c1-23-17-10-16(18-11-19-17)22-6-4-12(5-7-22)13-9-14(21-20-13)15-3-2-8-24-15/h2-3,8-12H,4-7H2,1H3,(H,20,21)
InChIKeyCFNGRHIKSQKAGR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.85
Rot. Bonds4

About 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine

4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine (PubChem CID 50981604) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine
PubChem CID50981604
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)ncn1
InChIInChI=1S/C17H19N5O2/c1-23-17-10-16(18-11-19-17)22-6-4-12(5-7-22)13-9-14(21-20-13)15-3-2-8-24-15/h2-3,8-12H,4-7H2,1H3,(H,20,21)
InChIKeyCFNGRHIKSQKAGR-UHFFFAOYSA-N
XLogP2.85
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
CID 11952564
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670
3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25221040
US11583532, Example 2.1
CID 150754482
2-(4-Methylpiperazin-1-yl)-4-(2-furanyl)-6-(3-furanyl)pyrimidine
CID 10448104
6-benzyl-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(4-methylsulfonylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
CID 73352605
5-bromo-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 11503962
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-carboxamide
CID 58486570
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide
CID 58486615
4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59757787

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine (CID 50981604) is 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)ncn1.
What is the InChIKey of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
The InChIKey is CFNGRHIKSQKAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-17-10-16(18-11-19-17)22-6-4-12(5-7-22)13-9-14(21-20-13)15-3-2-8-24-15/h2-3,8-12H,4-7H2,1H3,(H,20,21).
What are the key properties of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine has a molecular weight of 325.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 50981604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).