(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

C17H23FN6 — CID 97450250

IUPAC(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1cc(CN2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1
InChIInChI=1S/C17H23FN6/c1-22-10-14(7-21-22)11-23-6-4-17(12-23)3-2-5-24(13-17)16-19-8-15(18)9-20-16/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1
InChIKeyGOWZBGRTYSVZKS-QGZVFWFLSA-N
MW330.41 g/mol
LogP1.84
Rot. Bonds3

About (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 97450250) has the molecular formula C17H23FN6 and a molecular weight of 330.41 g/mol. Its IUPAC name is (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID97450250
Molecular FormulaC17H23FN6
Molecular Weight330.41 g/mol
Exact Mass330.20
IUPAC Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1cc(CN2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1
InChIInChI=1S/C17H23FN6/c1-22-10-14(7-21-22)11-23-6-4-17(12-23)3-2-5-24(13-17)16-19-8-15(18)9-20-16/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1
InChIKeyGOWZBGRTYSVZKS-QGZVFWFLSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-{1-[3-(1H-pyrazol-1-yl)propyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 45250907
9-(5-Fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739503
2-[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 118741106
6,6-Difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 118743283
6,6-Difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118745916
6,6-Difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 118746338
2-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]pyrimidine
CID 72853094
6,6-Difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118743282
2-(5-Ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
(2S)-5-(5-fluoropyrimidin-2-yl)-1-methyl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 134690565
5-Fluoro-2-[4-[4-(4-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
CID 59144861
1-[4-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazole-4-carbonitrile
CID 59144928

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 97450250) is (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane is Cn1cc(CN2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1.
What is the InChIKey of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is GOWZBGRTYSVZKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23FN6/c1-22-10-14(7-21-22)11-23-6-4-17(12-23)3-2-5-24(13-17)16-19-8-15(18)9-20-16/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane?
(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 330.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97450250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).