4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole

C24H25N5S — CID 11668827

IUPAC4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1nc(-c2cnccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C24H25N5S/c1-16-4-3-12-29(16)13-9-18-5-7-20-19(14-18)6-8-21(28-20)23-17(2)27-24(30-23)22-15-25-10-11-26-22/h5-8,10-11,14-16H,3-4,9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyGPHSVVRXIKKAFP-MRXNPFEDSA-N
MW415.57 g/mol
LogP5.15
Rot. Bonds5

About 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole

4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 11668827) has the molecular formula C24H25N5S and a molecular weight of 415.57 g/mol. Its IUPAC name is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole
PubChem CID11668827
Molecular FormulaC24H25N5S
Molecular Weight415.57 g/mol
Exact Mass415.18
IUPAC Name4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1nc(-c2cnccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
InChIInChI=1S/C24H25N5S/c1-16-4-3-12-29(16)13-9-18-5-7-20-19(14-18)6-8-21(28-20)23-17(2)27-24(30-23)22-15-25-10-11-26-22/h5-8,10-11,14-16H,3-4,9,12-13H2,1-2H3/t16-/m1/s1
InChIKeyGPHSVVRXIKKAFP-MRXNPFEDSA-N
XLogP5.15
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.57
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole (CID 11668827) is 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole is Cc1nc(-c2cnccn2)sc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1.
What is the InChIKey of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is GPHSVVRXIKKAFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N5S/c1-16-4-3-12-29(16)13-9-18-5-7-20-19(14-18)6-8-21(28-20)23-17(2)27-24(30-23)22-15-25-10-11-26-22/h5-8,10-11,14-16H,3-4,9,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole?
4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 415.57 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 11668827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).