N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide

C18H24N6O3 — CID 124814873

IUPACN-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(N2CC3(CC[C@@H](CNC(=O)c4cnn(C)c4)CO3)C2)ncn1
InChIInChI=1S/C18H24N6O3/c1-23-8-14(7-22-23)17(25)19-6-13-3-4-18(27-9-13)10-24(11-18)15-5-16(26-2)21-12-20-15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,19,25)/t13-/m0/s1
InChIKeyCWQYYCQVYZYHAJ-ZDUSSCGKSA-N
MW372.43 g/mol
LogP0.63
Rot. Bonds5

About N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 124814873) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID124814873
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(N2CC3(CC[C@@H](CNC(=O)c4cnn(C)c4)CO3)C2)ncn1
InChIInChI=1S/C18H24N6O3/c1-23-8-14(7-22-23)17(25)19-6-13-3-4-18(27-9-13)10-24(11-18)15-5-16(26-2)21-12-20-15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,19,25)/t13-/m0/s1
InChIKeyCWQYYCQVYZYHAJ-ZDUSSCGKSA-N
XLogP0.63
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-(oxan-4-yl)-6-[1-(3-pyrimidin-4-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136613073
N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 133144915
N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155839517
N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 51106966
3-methoxy-1-methyl-N-(2-((6-morpholinopyrimidin-4-yl)amino)ethyl)-1H-pyrazole-4-carboxamide
CID 122327953
1-methyl-N-[[(7R)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 124244532
1-methyl-N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 124244533
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 124814872
N-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 131658394
1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide
CID 131669386
1-ethyl-N-{[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl}-1H-pyrazole-4-carboxamide
CID 131927398
N-{[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl}-1-isopropyl-1H-pyrazole-4-carboxamide
CID 132425763

Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 124814873) is N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide is COc1cc(N2CC3(CC[C@@H](CNC(=O)c4cnn(C)c4)CO3)C2)ncn1.
What is the InChIKey of N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CWQYYCQVYZYHAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-23-8-14(7-22-23)17(25)19-6-13-3-4-18(27-9-13)10-24(11-18)15-5-16(26-2)21-12-20-15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H,19,25)/t13-/m0/s1.
What are the key properties of N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 124814873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).