5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine

C21H24N6O2S — CID 90405744

IUPAC5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@H](Nc3cnc(C4CC4)cn3)[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H24N6O2S/c1-26-13-21(24-14-26)30(28,29)27-11-17(15-5-3-2-4-6-15)19(12-27)25-20-10-22-18(9-23-20)16-7-8-16/h2-6,9-10,13-14,16-17,19H,7-8,11-12H2,1H3,(H,23,25)/t17-,19+/m1/s1
InChIKeyJWAJTIBVABAANI-MJGOQNOKSA-N
MW424.53 g/mol
LogP2.36
Rot. Bonds6

About 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine

5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 90405744) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine
PubChem CID90405744
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@H](Nc3cnc(C4CC4)cn3)[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H24N6O2S/c1-26-13-21(24-14-26)30(28,29)27-11-17(15-5-3-2-4-6-15)19(12-27)25-20-10-22-18(9-23-20)16-7-8-16/h2-6,9-10,13-14,16-17,19H,7-8,11-12H2,1H3,(H,23,25)/t17-,19+/m1/s1
InChIKeyJWAJTIBVABAANI-MJGOQNOKSA-N
XLogP2.36
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine (CID 90405744) is 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine is Cn1cnc(S(=O)(=O)N2C[C@H](Nc3cnc(C4CC4)cn3)[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is JWAJTIBVABAANI-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-26-13-21(24-14-26)30(28,29)27-11-17(15-5-3-2-4-6-15)19(12-27)25-20-10-22-18(9-23-20)16-7-8-16/h2-6,9-10,13-14,16-17,19H,7-8,11-12H2,1H3,(H,23,25)/t17-,19+/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine?
5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 424.53 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 90405744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).