[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone

C24H23FN6OS — CID 10298371

IUPAC[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2CNc2cnc3ncccc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H23FN6OS/c1-15-29-21(22(33-15)16-7-9-17(25)10-8-16)24(32)31-12-3-2-5-18(31)13-27-20-14-28-23-19(30-20)6-4-11-26-23/h4,6-11,14,18H,2-3,5,12-13H2,1H3,(H,27,30)
InChIKeyMIJUIMGMXGTHCR-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.70
Rot. Bonds5

About [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 10298371) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID10298371
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCCC2CNc2cnc3ncccc3n2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H23FN6OS/c1-15-29-21(22(33-15)16-7-9-17(25)10-8-16)24(32)31-12-3-2-5-18(31)13-27-20-14-28-23-19(30-20)6-4-11-26-23/h4,6-11,14,18H,2-3,5,12-13H2,1H3,(H,27,30)
InChIKeyMIJUIMGMXGTHCR-UHFFFAOYSA-N
XLogP4.70
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone (CID 10298371) is [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCCC2CNc2cnc3ncccc3n2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is MIJUIMGMXGTHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c1-15-29-21(22(33-15)16-7-9-17(25)10-8-16)24(32)31-12-3-2-5-18(31)13-27-20-14-28-23-19(30-20)6-4-11-26-23/h4,6-11,14,18H,2-3,5,12-13H2,1H3,(H,27,30).
What are the key properties of [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 462.55 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10298371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).