methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate

C18H22N6O3 — CID 121168618

IUPACmethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)CC1
InChIInChI=1S/C18H22N6O3/c1-27-18(26)13-3-7-22(8-4-13)17(25)14-10-23(11-14)15-9-16(20-12-19-15)24-6-2-5-21-24/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3
InChIKeyWLRGPWZQWZHKCZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.51
Rot. Bonds4

About methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate

methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 121168618) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID121168618
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Namemethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)CC1
InChIInChI=1S/C18H22N6O3/c1-27-18(26)13-3-7-22(8-4-13)17(25)14-10-23(11-14)15-9-16(20-12-19-15)24-6-2-5-21-24/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3
InChIKeyWLRGPWZQWZHKCZ-UHFFFAOYSA-N
XLogP0.51
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90520476
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121168764
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520604
1-[4-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 119101000
[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 121168758
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168715
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520481
1-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperidine-4-carboxamide
CID 121168325
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586
(4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121168831
N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168611

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate (CID 121168618) is methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)CC1.
What is the InChIKey of methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is WLRGPWZQWZHKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-27-18(26)13-3-7-22(8-4-13)17(25)14-10-23(11-14)15-9-16(20-12-19-15)24-6-2-5-21-24/h2,5-6,9,12-14H,3-4,7-8,10-11H2,1H3.
What are the key properties of methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate?
methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 121168618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).