2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

C18H27N5S — CID 156542271

IUPAC2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2sc(CC(C)N3CCn4nccc4C3)nc2C1
InChIInChI=1S/C18H27N5S/c1-13(2)21-7-5-17-16(12-21)20-18(24-17)10-14(3)22-8-9-23-15(11-22)4-6-19-23/h4,6,13-14H,5,7-12H2,1-3H3
InChIKeyQDIWLBRKVJWTQC-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.55
Rot. Bonds4

About 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 156542271) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID156542271
Molecular FormulaC18H27N5S
Molecular Weight345.52 g/mol
Exact Mass345.20
IUPAC Name2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2sc(CC(C)N3CCn4nccc4C3)nc2C1
InChIInChI=1S/C18H27N5S/c1-13(2)21-7-5-17-16(12-21)20-18(24-17)10-14(3)22-8-9-23-15(11-22)4-6-19-23/h4,6,13-14H,5,7-12H2,1-3H3
InChIKeyQDIWLBRKVJWTQC-UHFFFAOYSA-N
XLogP2.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 156542271) is 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is CC(C)N1CCc2sc(CC(C)N3CCn4nccc4C3)nc2C1.
What is the InChIKey of 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is QDIWLBRKVJWTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S/c1-13(2)21-7-5-17-16(12-21)20-18(24-17)10-14(3)22-8-9-23-15(11-22)4-6-19-23/h4,6,13-14H,5,7-12H2,1-3H3.
What are the key properties of 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 345.52 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 156542271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).