[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone

C22H25N7O3 — CID 90520481

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)CC1
InChIInChI=1S/C22H25N7O3/c30-21(26-9-11-27(12-10-26)22(31)18-5-2-13-32-18)17-4-1-7-28(15-17)19-14-20(24-16-23-19)29-8-3-6-25-29/h2-3,5-6,8,13-14,16-17H,1,4,7,9-12,15H2
InChIKeyJQBGHPRPVRFPCH-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.46
Rot. Bonds4

About [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 90520481) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID90520481
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)CC1
InChIInChI=1S/C22H25N7O3/c30-21(26-9-11-27(12-10-26)22(31)18-5-2-13-32-18)17-4-1-7-28(15-17)19-14-20(24-16-23-19)29-8-3-6-25-29/h2-3,5-6,8,13-14,16-17H,1,4,7,9-12,15H2
InChIKeyJQBGHPRPVRFPCH-UHFFFAOYSA-N
XLogP1.46
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone
CID 121168327
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520604
ethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90520476
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-phenylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121018156
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600764
[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 121168758
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 92746923
methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
CID 121168618
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
1,2-oxazol-5-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337194

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone (CID 90520481) is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is JQBGHPRPVRFPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c30-21(26-9-11-27(12-10-26)22(31)18-5-2-13-32-18)17-4-1-7-28(15-17)19-14-20(24-16-23-19)29-8-3-6-25-29/h2-3,5-6,8,13-14,16-17H,1,4,7,9-12,15H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 435.49 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 90520481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).