1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide

C18H24N6O2 — CID 91764304

IUPAC1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cnn1C
InChIInChI=1S/C18H24N6O2/c1-12-15(10-21-23(12)2)18(25)22-14-7-13(8-14)16-9-17(20-11-19-16)24-3-5-26-6-4-24/h9-11,13-14H,3-8H2,1-2H3,(H,22,25)
InChIKeyZYMNHSAGBFNNRY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.03
Rot. Bonds4

About 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide (PubChem CID 91764304) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
PubChem CID91764304
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cnn1C
InChIInChI=1S/C18H24N6O2/c1-12-15(10-21-23(12)2)18(25)22-14-7-13(8-14)16-9-17(20-11-19-16)24-3-5-26-6-4-24/h9-11,13-14H,3-8H2,1-2H3,(H,22,25)
InChIKeyZYMNHSAGBFNNRY-UHFFFAOYSA-N
XLogP1.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazolidine-3-carboxamide
CID 133260509
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 167870558
1,5-dimethyl-N-(1-phenylpiperidin-4-yl)pyrazole-4-carboxamide
CID 86828696
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 126769937
(4-methylpyrimidin-5-yl)-[(3R)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95867216
5-methyl-1-phenyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 121019478
3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 95872739
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
2-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56898389

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide (CID 91764304) is 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
The InChIKey is ZYMNHSAGBFNNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-15(10-21-23(12)2)18(25)22-14-7-13(8-14)16-9-17(20-11-19-16)24-3-5-26-6-4-24/h9-11,13-14H,3-8H2,1-2H3,(H,22,25).
What are the key properties of 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91764304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).