1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide

C17H22N6O2 — CID 91777854

IUPAC1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-10-13(9-20-22)17(24)21-14-6-12(7-14)15-8-16(19-11-18-15)23-2-4-25-5-3-23/h8-12,14H,2-7H2,1H3,(H,21,24)
InChIKeyVQGMSMJDLUACNG-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.72
Rot. Bonds4

About 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide

1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide (PubChem CID 91777854) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
PubChem CID91777854
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-10-13(9-20-22)17(24)21-14-6-12(7-14)15-8-16(19-11-18-15)23-2-4-25-5-3-23/h8-12,14H,2-7H2,1H3,(H,21,24)
InChIKeyVQGMSMJDLUACNG-UHFFFAOYSA-N
XLogP0.72
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide (CID 91777854) is 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cn1.
What is the InChIKey of 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
The InChIKey is VQGMSMJDLUACNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-10-13(9-20-22)17(24)21-14-6-12(7-14)15-8-16(19-11-18-15)23-2-4-25-5-3-23/h8-12,14H,2-7H2,1H3,(H,21,24).
What are the key properties of 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91777854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).