3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide

C17H25N7O3 — CID 122294134

IUPAC3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C17H25N7O3/c1-12-20-14(10-15(21-12)24-6-8-27-9-7-24)18-4-5-19-16(25)13-11-23(2)22-17(13)26-3/h10-11H,4-9H2,1-3H3,(H,19,25)(H,18,20,21)
InChIKeyHOQQNWYNGRHYAB-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.21
Rot. Bonds7

About 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide (PubChem CID 122294134) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
PubChem CID122294134
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C17H25N7O3/c1-12-20-14(10-15(21-12)24-6-8-27-9-7-24)18-4-5-19-16(25)13-11-23(2)22-17(13)26-3/h10-11H,4-9H2,1-3H3,(H,19,25)(H,18,20,21)
InChIKeyHOQQNWYNGRHYAB-UHFFFAOYSA-N
XLogP0.21
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide (CID 122294134) is 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCCNc1cc(N2CCOCC2)nc(C)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide?
The InChIKey is HOQQNWYNGRHYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-12-20-14(10-15(21-12)24-6-8-27-9-7-24)18-4-5-19-16(25)13-11-23(2)22-17(13)26-3/h10-11H,4-9H2,1-3H3,(H,19,25)(H,18,20,21).
What are the key properties of 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122294134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).