4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine

C19H14N6S — CID 8852385

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(SCc4cn5ccccc5n4)ncnc32)cc1
InChIInChI=1S/C19H14N6S/c1-2-6-15(7-3-1)25-18-16(10-22-25)19(21-13-20-18)26-12-14-11-24-9-5-4-8-17(24)23-14/h1-11,13H,12H2
InChIKeyZKBRQHWLSICEIG-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.76
Rot. Bonds4

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 8852385) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID8852385
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(SCc4cn5ccccc5n4)ncnc32)cc1
InChIInChI=1S/C19H14N6S/c1-2-6-15(7-3-1)25-18-16(10-22-25)19(21-13-20-18)26-12-14-11-24-9-5-4-8-17(24)23-14/h1-11,13H,12H2
InChIKeyZKBRQHWLSICEIG-UHFFFAOYSA-N
XLogP3.76
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 112797709
2-phenyl-4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
CID 16507589
8-methyl-2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 16507616
4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile
CID 16507685
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
3-benzyl-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38867066
propan-2-yl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 645916
3-(furan-2-yl)-5-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55551341
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
1-(2-chlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 3260834
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 32793666

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 8852385) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(SCc4cn5ccccc5n4)ncnc32)cc1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZKBRQHWLSICEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/c1-2-6-15(7-3-1)25-18-16(10-22-25)19(21-13-20-18)26-12-14-11-24-9-5-4-8-17(24)23-14/h1-11,13H,12H2.
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 358.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8852385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).