2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

C22H19N5S — CID 57344834

IUPAC2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESCc1sc(Cc2ccccc2)nc1-c1c[nH]c2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C22H19N5S/c1-14-21(26-20(28-14)8-15-6-4-3-5-7-15)19-12-24-22-18(19)9-16(10-23-22)17-11-25-27(2)13-17/h3-7,9-13H,8H2,1-2H3,(H,23,24)
InChIKeyHWSUAMAUDFPRDB-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.99
Rot. Bonds4

About 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (PubChem CID 57344834) has the molecular formula C22H19N5S and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
PubChem CID57344834
Molecular FormulaC22H19N5S
Molecular Weight385.50 g/mol
Exact Mass385.14
IUPAC Name2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESCc1sc(Cc2ccccc2)nc1-c1c[nH]c2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C22H19N5S/c1-14-21(26-20(28-14)8-15-6-4-3-5-7-15)19-12-24-22-18(19)9-16(10-23-22)17-11-25-27(2)13-17/h3-7,9-13H,8H2,1-2H3,(H,23,24)
InChIKeyHWSUAMAUDFPRDB-UHFFFAOYSA-N
XLogP4.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 11515031
4-N-benzyl-4-N-ethyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335419
[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 135981907
N,5-dimethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-4-yl-1,3-thiazol-2-amine
CID 163920167
3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]triazol-1-yl]-3-phenylpropanoic acid
CID 66778700
3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161039948
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 155794913
6-benzyl-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4H-pyrrolo[2,3-d][1,3]thiazole
CID 67249130
[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 11661380
4-(1-methoxy-1-phenylethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 53252762
2-[methoxy(phenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazole
CID 135981818
4-N-(2-fluorophenyl)-4-N-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2,4-diamine
CID 57335274

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (CID 57344834) is 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is Cc1sc(Cc2ccccc2)nc1-c1c[nH]c2ncc(-c3cnn(C)c3)cc12.
What is the InChIKey of 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The InChIKey is HWSUAMAUDFPRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S/c1-14-21(26-20(28-14)8-15-6-4-3-5-7-15)19-12-24-22-18(19)9-16(10-23-22)17-11-25-27(2)13-17/h3-7,9-13H,8H2,1-2H3,(H,23,24).
What are the key properties of 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole has a molecular weight of 385.50 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 57344834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).