cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C18H20N6OS — CID 118782375

IUPACcyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(C1CCC1)N1CCn2nc(CNc3ncnc4sccc34)cc2C1
InChIInChI=1S/C18H20N6OS/c25-18(12-2-1-3-12)23-5-6-24-14(10-23)8-13(22-24)9-19-16-15-4-7-26-17(15)21-11-20-16/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,20,21)
InChIKeyFFDNSMGGMWCHDI-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.64
Rot. Bonds4

About cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 118782375) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID118782375
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Namecyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(C1CCC1)N1CCn2nc(CNc3ncnc4sccc34)cc2C1
InChIInChI=1S/C18H20N6OS/c25-18(12-2-1-3-12)23-5-6-24-14(10-23)8-13(22-24)9-19-16-15-4-7-26-17(15)21-11-20-16/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,20,21)
InChIKeyFFDNSMGGMWCHDI-UHFFFAOYSA-N
XLogP2.64
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 118782375) is cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(C1CCC1)N1CCn2nc(CNc3ncnc4sccc34)cc2C1.
What is the InChIKey of cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is FFDNSMGGMWCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(12-2-1-3-12)23-5-6-24-14(10-23)8-13(22-24)9-19-16-15-4-7-26-17(15)21-11-20-16/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,20,21).
What are the key properties of cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 118782375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).