(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide

C25H26N4O2S — CID 143834554

IUPAC(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
SMILESN#Cc1cnc(NC(=O)[C@H](C[C@H]2CCC(=O)C2)c2ccc(SC3CC3)c(C3CC3)c2)cn1
InChIInChI=1S/C25H26N4O2S/c26-12-18-13-28-24(14-27-18)29-25(31)22(10-15-1-5-19(30)9-15)17-4-8-23(32-20-6-7-20)21(11-17)16-2-3-16/h4,8,11,13-16,20,22H,1-3,5-7,9-10H2,(H,28,29,31)/t15-,22+/m0/s1
InChIKeyLOBKXRXNYKXHGC-OYHNWAKOSA-N
MW446.58 g/mol
LogP4.96
Rot. Bonds8

About (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide

(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide (PubChem CID 143834554) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
PubChem CID143834554
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
SMILESN#Cc1cnc(NC(=O)[C@H](C[C@H]2CCC(=O)C2)c2ccc(SC3CC3)c(C3CC3)c2)cn1
InChIInChI=1S/C25H26N4O2S/c26-12-18-13-28-24(14-27-18)29-25(31)22(10-15-1-5-19(30)9-15)17-4-8-23(32-20-6-7-20)21(11-17)16-2-3-16/h4,8,11,13-16,20,22H,1-3,5-7,9-10H2,(H,28,29,31)/t15-,22+/m0/s1
InChIKeyLOBKXRXNYKXHGC-OYHNWAKOSA-N
XLogP4.96
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide?
The IUPAC name of (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide (CID 143834554) is (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide.
What is the SMILES notation for (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide?
The canonical SMILES for (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide is N#Cc1cnc(NC(=O)[C@H](C[C@H]2CCC(=O)C2)c2ccc(SC3CC3)c(C3CC3)c2)cn1.
What is the InChIKey of (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide?
The InChIKey is LOBKXRXNYKXHGC-OYHNWAKOSA-N. The full InChI is InChI=1S/C25H26N4O2S/c26-12-18-13-28-24(14-27-18)29-25(31)22(10-15-1-5-19(30)9-15)17-4-8-23(32-20-6-7-20)21(11-17)16-2-3-16/h4,8,11,13-16,20,22H,1-3,5-7,9-10H2,(H,28,29,31)/t15-,22+/m0/s1.
What are the key properties of (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide?
(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide has a molecular weight of 446.58 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide is sourced from PubChem (CID 143834554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).