5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone

C21H23N5OS — CID 66654547

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1
InChIInChI=1S/C21H23N5OS/c27-20(17-10-14-2-1-3-16(14)28-17)26-9-8-25(11-21(12-26)5-6-21)19-15-4-7-22-18(15)23-13-24-19/h4,7,10,13H,1-3,5-6,8-9,11-12H2,(H,22,23,24)
InChIKeyYFRQZRCKCQRXLK-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.25
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone (PubChem CID 66654547) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
PubChem CID66654547
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1
InChIInChI=1S/C21H23N5OS/c27-20(17-10-14-2-1-3-16(14)28-17)26-9-8-25(11-21(12-26)5-6-21)19-15-4-7-22-18(15)23-13-24-19/h4,7,10,13H,1-3,5-6,8-9,11-12H2,(H,22,23,24)
InChIKeyYFRQZRCKCQRXLK-UHFFFAOYSA-N
XLogP3.25
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone with MolForge

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Related Compounds

(3-methyl-1,2-thiazol-5-yl)-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 66653846
pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 66653851
4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one
CID 66654021
pyrimidin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 56645397
7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 155953699
N-(2-methoxyethyl)-4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]benzenesulfonamide
CID 66653949
N-(oxolan-2-ylmethyl)-4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]benzenesulfonamide
CID 56644356
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103745626
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619
5-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]thiophene-2-carbonitrile
CID 57477383
[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
(3-hydroxyphenyl)-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone
CID 123709955

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone (CID 66654547) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone is O=C(c1cc2c(s1)CCC2)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
The InChIKey is YFRQZRCKCQRXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-20(17-10-14-2-1-3-16(14)28-17)26-9-8-25(11-21(12-26)5-6-21)19-15-4-7-22-18(15)23-13-24-19/h4,7,10,13H,1-3,5-6,8-9,11-12H2,(H,22,23,24).
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone has a molecular weight of 393.52 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone is sourced from PubChem (CID 66654547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).