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

C17H21FN6O2 — CID 133144915

IUPACN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC3(CN(c4ncc(F)cn4)C3)OC2)cn1
InChIInChI=1S/C17H21FN6O2/c1-23-8-13(5-22-23)15(25)19-4-12-2-3-17(26-9-12)10-24(11-17)16-20-6-14(18)7-21-16/h5-8,12H,2-4,9-11H2,1H3,(H,19,25)
InChIKeyHLTVQBZIHCPKKQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.76
Rot. Bonds4

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

N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 133144915) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID133144915
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC NameN-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCC3(CN(c4ncc(F)cn4)C3)OC2)cn1
InChIInChI=1S/C17H21FN6O2/c1-23-8-13(5-22-23)15(25)19-4-12-2-3-17(26-9-12)10-24(11-17)16-20-6-14(18)7-21-16/h5-8,12H,2-4,9-11H2,1H3,(H,19,25)
InChIKeyHLTVQBZIHCPKKQ-UHFFFAOYSA-N
XLogP0.76
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-Methylpyrazol-4-yl)-[8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155851923
1-ethyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117740
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
1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 155901427
N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97362609
1-methyl-N-[(5R,9R)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 97475541
(1-methylpyrazol-4-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97487446
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
1-methyl-N-[(5S,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124813893
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 124814872

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 133144915) is N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCC3(CN(c4ncc(F)cn4)C3)OC2)cn1.
What is the InChIKey of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is HLTVQBZIHCPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-23-8-13(5-22-23)15(25)19-4-12-2-3-17(26-9-12)10-24(11-17)16-20-6-14(18)7-21-16/h5-8,12H,2-4,9-11H2,1H3,(H,19,25).
What are the key properties of N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 133144915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).