5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole

C21H21ClF2N6S — CID 58523881

IUPAC5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole
SMILESFc1ccc(F)c(CN2CCCc3ncc(-c4cnc(N5CCNCC5)s4)nc32)c1Cl
InChIInChI=1S/C21H21ClF2N6S/c22-19-13(14(23)3-4-15(19)24)12-30-7-1-2-16-20(30)28-17(10-26-16)18-11-27-21(31-18)29-8-5-25-6-9-29/h3-4,10-11,25H,1-2,5-9,12H2
InChIKeyZUHKSUBFWVNDPT-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.89
Rot. Bonds4

About 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole

5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole (PubChem CID 58523881) has the molecular formula C21H21ClF2N6S and a molecular weight of 462.96 g/mol. Its IUPAC name is 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole
PubChem CID58523881
Molecular FormulaC21H21ClF2N6S
Molecular Weight462.96 g/mol
Exact Mass462.12
IUPAC Name5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole
SMILESFc1ccc(F)c(CN2CCCc3ncc(-c4cnc(N5CCNCC5)s4)nc32)c1Cl
InChIInChI=1S/C21H21ClF2N6S/c22-19-13(14(23)3-4-15(19)24)12-30-7-1-2-16-20(30)28-17(10-26-16)18-11-27-21(31-18)29-8-5-25-6-9-29/h3-4,10-11,25H,1-2,5-9,12H2
InChIKeyZUHKSUBFWVNDPT-UHFFFAOYSA-N
XLogP3.89
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole with MolForge

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Related Compounds

1-amino-4-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]butan-2-one
CID 58523449
4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58523630
4-[3-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]prop-2-ynyl]-1,4-thiazinane 1,1-dioxide
CID 58523719
4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine
CID 161076529
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
CID 86268997
[4-[5-[(2-chloro-3-pyridinyl)methyl]-6,7,8,9-tetrahydropyrazino[2,3-b]azepin-3-yl]thiophen-2-yl]-piperazin-1-ylmethanone
CID 58523633
2-[5-[(2,6-dichloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-pyrido[3,2-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 158077046
5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
CID 95481197
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
1-(3-chloro-2,4-difluorophenyl)piperazine
CID 83291434
2-(1,4-diazepan-1-yl)-4-fluoro-1,3-benzothiazole
CID 82192711
1-[(2,3-dichloro-4-fluorophenyl)methyl]-1,4-diazepane
CID 120834339

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole (CID 58523881) is 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole is Fc1ccc(F)c(CN2CCCc3ncc(-c4cnc(N5CCNCC5)s4)nc32)c1Cl.
What is the InChIKey of 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is ZUHKSUBFWVNDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N6S/c22-19-13(14(23)3-4-15(19)24)12-30-7-1-2-16-20(30)28-17(10-26-16)18-11-27-21(31-18)29-8-5-25-6-9-29/h3-4,10-11,25H,1-2,5-9,12H2.
What are the key properties of 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole?
5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 462.96 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 58523881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).