7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine

C22H23ClN8S — CID 71719529

IUPAC7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine
SMILESCCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC4(CCCN4)C3)c2c1Cl
InChIInChI=1S/C22H23ClN8S/c1-2-14-17(23)16-19(28-14)29-21(32-13-10-15-18(26-11-13)25-8-7-24-15)30-20(16)31-9-5-22(12-31)4-3-6-27-22/h7-8,10-11,27H,2-6,9,12H2,1H3,(H,28,29,30)
InChIKeyYIGZZFRZQFYSRR-UHFFFAOYSA-N
MW467.00 g/mol
LogP4.00
Rot. Bonds4

About 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine

7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine (PubChem CID 71719529) has the molecular formula C22H23ClN8S and a molecular weight of 467.00 g/mol. Its IUPAC name is 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine
PubChem CID71719529
Molecular FormulaC22H23ClN8S
Molecular Weight467.00 g/mol
Exact Mass466.15
IUPAC Name7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine
SMILESCCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC4(CCCN4)C3)c2c1Cl
InChIInChI=1S/C22H23ClN8S/c1-2-14-17(23)16-19(28-14)29-21(32-13-10-15-18(26-11-13)25-8-7-24-15)30-20(16)31-9-5-22(12-31)4-3-6-27-22/h7-8,10-11,27H,2-6,9,12H2,1H3,(H,28,29,30)
InChIKeyYIGZZFRZQFYSRR-UHFFFAOYSA-N
XLogP4.00
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.00
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine?
The IUPAC name of 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine (CID 71719529) is 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine is CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CCC4(CCCN4)C3)c2c1Cl.
What is the InChIKey of 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine?
The InChIKey is YIGZZFRZQFYSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8S/c1-2-14-17(23)16-19(28-14)29-21(32-13-10-15-18(26-11-13)25-8-7-24-15)30-20(16)31-9-5-22(12-31)4-3-6-27-22/h7-8,10-11,27H,2-6,9,12H2,1H3,(H,28,29,30).
What are the key properties of 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine?
7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine has a molecular weight of 467.00 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-chloro-4-(1,7-diazaspiro[4.4]nonan-7-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 71719529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).