[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C21H24N8O — CID 121168758

IUPAC[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H24N8O/c30-21(27-9-7-26(8-10-27)13-17-3-1-4-22-12-17)18-14-28(15-18)19-11-20(24-16-23-19)29-6-2-5-25-29/h1-6,11-12,16,18H,7-10,13-15H2
InChIKeyXSQKQSLBAQVFHJ-UHFFFAOYSA-N
MW404.48 g/mol
LogP0.84
Rot. Bonds5

About [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 121168758) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID121168758
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H24N8O/c30-21(27-9-7-26(8-10-27)13-17-3-1-4-22-12-17)18-14-28(15-18)19-11-20(24-16-23-19)29-6-2-5-25-29/h1-6,11-12,16,18H,7-10,13-15H2
InChIKeyXSQKQSLBAQVFHJ-UHFFFAOYSA-N
XLogP0.84
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(6-phenylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 121168190
methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
CID 121168618
1-[4-[4-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 119101000
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520481
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90545831
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
(3-methylpiperidin-1-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520604
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone
CID 121168327
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 121168434
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121168764
ethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90520476

Frequently Asked Questions

What is the IUPAC name of [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 121168758) is [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is O=C(C1CN(c2cc(-n3cccn3)ncn2)C1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is XSQKQSLBAQVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c30-21(27-9-7-26(8-10-27)13-17-3-1-4-22-12-17)18-14-28(15-18)19-11-20(24-16-23-19)29-6-2-5-25-29/h1-6,11-12,16,18H,7-10,13-15H2.
What are the key properties of [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 404.48 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 121168758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).