5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide

C27H32N4O3S — CID 143834525

IUPAC5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cnc(NC(=O)[C@H](C[C@H]2CCC(=O)C2)c2ccc(SC3CC3)c(C3CC3)c2)cn1
InChIInChI=1S/C27H32N4O3S/c1-31(2)27(34)23-14-29-25(15-28-23)30-26(33)22(12-16-3-7-19(32)11-16)18-6-10-24(35-20-8-9-20)21(13-18)17-4-5-17/h6,10,13-17,20,22H,3-5,7-9,11-12H2,1-2H3,(H,29,30,33)/t16-,22+/m0/s1
InChIKeyRZNRDAMQPRECAY-KSFYIVLOSA-N
MW492.65 g/mol
LogP4.79
Rot. Bonds9

About 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide

5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 143834525) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID143834525
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cnc(NC(=O)[C@H](C[C@H]2CCC(=O)C2)c2ccc(SC3CC3)c(C3CC3)c2)cn1
InChIInChI=1S/C27H32N4O3S/c1-31(2)27(34)23-14-29-25(15-28-23)30-26(33)22(12-16-3-7-19(32)11-16)18-6-10-24(35-20-8-9-20)21(13-18)17-4-5-17/h6,10,13-17,20,22H,3-5,7-9,11-12H2,1-2H3,(H,29,30,33)/t16-,22+/m0/s1
InChIKeyRZNRDAMQPRECAY-KSFYIVLOSA-N
XLogP4.79
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-chloropyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
CID 143834579
(2R)-N-(5-cyanopyrazin-2-yl)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
CID 143834554
(2R)-N-[(1Z,3Z)-1-aminohepta-1,3-dien-3-yl]-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanamide
CID 143834592
5-[(3R)-3-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-2-oxo-4-[(1R)-3-oxocyclopentyl]butyl]-N,N-dimethylpyrazine-2-carboxamide
CID 157125240
(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-(1H-pyrazol-5-yl)propanamide
CID 59571004
1-[4-[(2R)-1-oxo-3-[(1R)-3-oxocyclopentyl]-1-(pyrazin-2-ylamino)propan-2-yl]phenyl]cyclopropane-1-sulfinic acid
CID 174540439
N-(5-bromopyrazin-2-yl)-2-(3-chloro-4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide
CID 10029482
(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoic acid
CID 59570882
2-(4-cyclopropylsulfanylphenyl)-N-hept-1-en-2-yl-3-(3-oxocyclopentyl)propanamide
CID 143451038
2-(3-chloro-4-methylsulfanylphenyl)-3-(3-oxocyclopentyl)propanoic acid
CID 73030887
(2R)-2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-3-(oxan-4-yl)propanamide
CID 59570996
2-(3-cyclopropyl-4-cyclopropylsulfonylphenyl)-3-(1,1-dioxothian-4-yl)-N-[5-(nitrosomethyl)pyrazin-2-yl]propanamide
CID 89023383

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide (CID 143834525) is 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide is CN(C)C(=O)c1cnc(NC(=O)[C@H](C[C@H]2CCC(=O)C2)c2ccc(SC3CC3)c(C3CC3)c2)cn1.
What is the InChIKey of 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is RZNRDAMQPRECAY-KSFYIVLOSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-31(2)27(34)23-14-29-25(15-28-23)30-26(33)22(12-16-3-7-19(32)11-16)18-6-10-24(35-20-8-9-20)21(13-18)17-4-5-17/h6,10,13-17,20,22H,3-5,7-9,11-12H2,1-2H3,(H,29,30,33)/t16-,22+/m0/s1.
What are the key properties of 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide?
5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(3-cyclopropyl-4-cyclopropylsulfanylphenyl)-3-[(1R)-3-oxocyclopentyl]propanoyl]amino]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 143834525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).