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

C17H23FN6 — CID 97450252

IUPAC(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN6/c1-22-8-5-19-15(22)11-23-7-4-17(12-23)3-2-6-24(13-17)16-20-9-14(18)10-21-16/h5,8-10H,2-4,6-7,11-13H2,1H3/t17-/m1/s1
InChIKeyYOCJONCARILCKE-QGZVFWFLSA-N
MW330.41 g/mol
LogP1.84
Rot. Bonds3

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

(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 97450252) 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-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID97450252
Molecular FormulaC17H23FN6
Molecular Weight330.41 g/mol
Exact Mass330.20
IUPAC Name(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN6/c1-22-8-5-19-15(22)11-23-7-4-17(12-23)3-2-6-24(13-17)16-20-9-14(18)10-21-16/h5,8-10H,2-4,6-7,11-13H2,1H3/t17-/m1/s1
InChIKeyYOCJONCARILCKE-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

N,N-dimethyl-5-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}methyl)-2-pyrimidinamine
CID 70717289
5-({2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1-piperidinyl}methyl)-2-(1-pyrrolidinyl)pyrimidine
CID 70744374
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrimidine
CID 70756171
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
6-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidin-4-amine
CID 72844111
6-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-4-pyrimidinamine
CID 72873331
4-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 72915735
8-[(1-Methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97397012
8-[(1-Methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449880
8-[(3-Methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97493631
9-(5-Fluoropyrimidin-2-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118739498
6,6-Difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 118746338

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 97450252) is (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane is Cn1ccnc1CN1CC[C@]2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is YOCJONCARILCKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23FN6/c1-22-8-5-19-15(22)11-23-7-4-17(12-23)3-2-6-24(13-17)16-20-9-14(18)10-21-16/h5,8-10H,2-4,6-7,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-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-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97450252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).