morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

C18H23N7O3 — CID 118526844

IUPACmorpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCOCC1
InChIInChI=1S/C18H23N7O3/c26-17(23-7-9-28-10-8-23)15-11-21-25(12-15)18(27)24-5-3-22(4-6-24)13-16-1-2-19-14-20-16/h1-2,11-12,14H,3-10,13H2
InChIKeyUILGTWBDXSXIRB-UHFFFAOYSA-N
MW385.43 g/mol
LogP-0.07
Rot. Bonds3

About morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone

morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (PubChem CID 118526844) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
PubChem CID118526844
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Namemorpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
SMILESO=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCOCC1
InChIInChI=1S/C18H23N7O3/c26-17(23-7-9-28-10-8-23)15-11-21-25(12-15)18(27)24-5-3-22(4-6-24)13-16-1-2-19-14-20-16/h1-2,11-12,14H,3-10,13H2
InChIKeyUILGTWBDXSXIRB-UHFFFAOYSA-N
XLogP-0.07
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
azetidin-1-yl-[1-[4-[[5-[1-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonyl]azetidin-2-yl]-1,3-thiazol-2-yl]methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 123862751
azetidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526425
[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 118526544
2-[4-(morpholine-4-carbonyl)pyrazol-1-yl]-2-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethenone
CID 123301378
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide
CID 123191297
pyridin-3-yl-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848103
(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 130187588
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
[1-[(3aS,6aR)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 139417582
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (CID 118526844) is morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is O=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
The InChIKey is UILGTWBDXSXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c26-17(23-7-9-28-10-8-23)15-11-21-25(12-15)18(27)24-5-3-22(4-6-24)13-16-1-2-19-14-20-16/h1-2,11-12,14H,3-10,13H2.
What are the key properties of morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone?
morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone has a molecular weight of 385.43 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 118526844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).