(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H25FN4O2S — CID 95062748

IUPAC(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C24H25FN4O2S/c1-24(23(31)26-17-8-3-4-9-17)15-29-20(13-19(27-29)21-11-6-12-32-21)22(30)28(24)14-16-7-2-5-10-18(16)25/h2,5-7,10-13,17H,3-4,8-9,14-15H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyKFPQGKZKPBDEPP-XMMPIXPASA-N
MW452.56 g/mol
LogP4.22
Rot. Bonds5

About (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062748) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062748
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC Name(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C24H25FN4O2S/c1-24(23(31)26-17-8-3-4-9-17)15-29-20(13-19(27-29)21-11-6-12-32-21)22(30)28(24)14-16-7-2-5-10-18(16)25/h2,5-7,10-13,17H,3-4,8-9,14-15H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyKFPQGKZKPBDEPP-XMMPIXPASA-N
XLogP4.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N-cyclohexyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738602
(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738834
(6S)-5-[(2-fluorophenyl)methyl]-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062610
(6S)-N-cyclopentyl-5-(2-ethylphenyl)-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062696
N-cyclohexyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272539
N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 53033718
ethyl (6S)-6-(cyclopentylcarbamoyl)-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71220160
(6R)-5-(4-chlorophenyl)-N-cyclohexyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738556
(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062745
(6S)-N-cyclohexyl-6-methyl-4-oxo-5-(3-propylsulfanylpropyl)-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738613
(11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737308
N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514690

Frequently Asked Questions

What is the IUPAC name of (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062748) is (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is C[C@]1(C(=O)NC2CCCC2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1F.
What is the InChIKey of (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is KFPQGKZKPBDEPP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-24(23(31)26-17-8-3-4-9-17)15-29-20(13-19(27-29)21-11-6-12-32-21)22(30)28(24)14-16-7-2-5-10-18(16)25/h2,5-7,10-13,17H,3-4,8-9,14-15H2,1H3,(H,26,31)/t24-/m1/s1.
What are the key properties of (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).