[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone

C17H18N6OS — CID 56645996

IUPAC[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2
InChIInChI=1S/C17H18N6OS/c24-16(13-8-18-11-25-13)23-7-1-6-22(9-17(23)3-4-17)15-12-2-5-19-14(12)20-10-21-15/h2,5,8,10-11H,1,3-4,6-7,9H2,(H,19,20,21)
InChIKeyNRSBNRQUBMLTQJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.30
Rot. Bonds2

About [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone

[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 56645996) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID56645996
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2
InChIInChI=1S/C17H18N6OS/c24-16(13-8-18-11-25-13)23-7-1-6-22(9-17(23)3-4-17)15-12-2-5-19-14(12)20-10-21-15/h2,5,8,10-11H,1,3-4,6-7,9H2,(H,19,20,21)
InChIKeyNRSBNRQUBMLTQJ-UHFFFAOYSA-N
XLogP2.30
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

5-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]thiophene-2-carbonitrile
CID 57477383
[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 141290904
3-oxo-3-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile
CID 50913914
2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
CID 58293327
(2,3-dihydroxyphenyl)-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone
CID 123344595
tert-butyl 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 57477280
(3-hydroxyphenyl)-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone
CID 123709955
1-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]cyclopropane-1-carbonitrile
CID 57477363
1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
CID 90265129
1H-indol-2-yl-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone
CID 66898326
methyl 4-oxo-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]butanoate
CID 58293368
N-cyclohexyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbothioamide
CID 87191937

Frequently Asked Questions

What is the IUPAC name of [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone (CID 56645996) is [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCN(c2ncnc3[nH]ccc23)CC12CC2.
What is the InChIKey of [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is NRSBNRQUBMLTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(13-8-18-11-25-13)23-7-1-6-22(9-17(23)3-4-17)15-12-2-5-19-14(12)20-10-21-15/h2,5,8,10-11H,1,3-4,6-7,9H2,(H,19,20,21).
What are the key properties of [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone?
[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56645996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).