N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide

C18H24N4O2S — CID 124781272

IUPACN-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccsc1
InChIInChI=1S/C18H24N4O2S/c23-18(14-5-10-25-13-14)19-6-1-16-11-21(15-3-8-24-9-4-15)12-17-2-7-20-22(16)17/h2,5,7,10,13,15-16H,1,3-4,6,8-9,11-12H2,(H,19,23)/t16-/m0/s1
InChIKeyDKMDJLVMWUXUCO-INIZCTEOSA-N
MW360.48 g/mol
LogP2.30
Rot. Bonds5

About N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide

N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide (PubChem CID 124781272) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
PubChem CID124781272
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccsc1
InChIInChI=1S/C18H24N4O2S/c23-18(14-5-10-25-13-14)19-6-1-16-11-21(15-3-8-24-9-4-15)12-17-2-7-20-22(16)17/h2,5,7,10,13,15-16H,1,3-4,6,8-9,11-12H2,(H,19,23)/t16-/m0/s1
InChIKeyDKMDJLVMWUXUCO-INIZCTEOSA-N
XLogP2.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide
CID 131659331
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyridine-3-carboxamide
CID 131677870
N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155832503
N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 124895374
N-[2-[(7S)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124818888
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155850249
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
CID 124793376
N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131678064
N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine
CID 124825585
N-[[(7R)-5-(oxan-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]thiophene-3-carboxamide
CID 124782236
5-(oxan-4-yl)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830284
N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131660399

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide (CID 124781272) is N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide is O=C(NCC[C@H]1CN(C2CCOCC2)Cc2ccnn21)c1ccsc1.
What is the InChIKey of N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is DKMDJLVMWUXUCO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-18(14-5-10-25-13-14)19-6-1-16-11-21(15-3-8-24-9-4-15)12-17-2-7-20-22(16)17/h2,5,7,10,13,15-16H,1,3-4,6,8-9,11-12H2,(H,19,23)/t16-/m0/s1.
What are the key properties of N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide?
N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 124781272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).