1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide

C17H22N6O2 — CID 131669386

IUPAC1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC3(CN(c4ncccn4)C3)OC2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-9-14(8-21-22)15(24)20-7-13-3-4-17(25-10-13)11-23(12-17)16-18-5-2-6-19-16/h2,5-6,8-9,13H,3-4,7,10-12H2,1H3,(H,20,24)
InChIKeyVGQUAHGGVUTLGI-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.63
Rot. Bonds4

About 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide

1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide (PubChem CID 131669386) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide
PubChem CID131669386
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC3(CN(c4ncccn4)C3)OC2)cn1
InChIInChI=1S/C17H22N6O2/c1-22-9-14(8-21-22)15(24)20-7-13-3-4-17(25-10-13)11-23(12-17)16-18-5-2-6-19-16/h2,5-6,8-9,13H,3-4,7,10-12H2,1H3,(H,20,24)
InChIKeyVGQUAHGGVUTLGI-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(oxan-4-yl)-6-[1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136242452
1-(oxan-4-yl)-6-[(1R)-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236310
1-(oxan-4-yl)-6-[(1R)-1-[3-(pyrimidin-2-ylmethyl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873868
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
(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843695
1-ethyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117740
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110117846
1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117849
1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117876
N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126467122
1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 155901427

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide (CID 131669386) is 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCC3(CN(c4ncccn4)C3)OC2)cn1.
What is the InChIKey of 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is VGQUAHGGVUTLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-9-14(8-21-22)15(24)20-7-13-3-4-17(25-10-13)11-23(12-17)16-18-5-2-6-19-16/h2,5-6,8-9,13H,3-4,7,10-12H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 131669386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).