5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline

C61H48N14S3 — CID 87097933

IUPAC5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3ccccc3nc(CSc3ncc(-c4ccccc4)[nH]3)n2n1.Cc1cc2c3ccccc3nc(SCc3ccc4ccccc4n3)n2n1.Cc1cc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1
InChIInChI=1S/C21H17N5S.C21H16N4S.C19H15N5S/c1-14-11-19-16-9-5-6-10-17(16)23-20(26(19)25-14)13-27-21-22-12-18(24-21)15-7-3-2-4-8-15;1-14-12-20-17-7-3-5-9-19(17)23-21(25(20)24-14)26-13-16-11-10-15-6-2-4-8-18(15)22-16;1-13-10-17-15-6-2-3-7-16(15)21-19(24(17)22-13)25-12-14-11-23-9-5-4-8-18(23)20-14/h2-12H,13H2,1H3,(H,22,24);2-12H,13H2,1H3;2-11H,12H2,1H3
InChIKeyDLMHJPXRMUPJCM-UHFFFAOYSA-N
MW1073.35 g/mol
LogP14.04
Rot. Bonds10

About 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline

5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline (PubChem CID 87097933) has the molecular formula C61H48N14S3 and a molecular weight of 1073.35 g/mol. Its IUPAC name is 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline
PubChem CID87097933
Molecular FormulaC61H48N14S3
Molecular Weight1073.35 g/mol
Exact Mass1072.33
IUPAC Name5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline
SMILESCc1cc2c3ccccc3nc(CSc3ncc(-c4ccccc4)[nH]3)n2n1.Cc1cc2c3ccccc3nc(SCc3ccc4ccccc4n3)n2n1.Cc1cc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1
InChIInChI=1S/C21H17N5S.C21H16N4S.C19H15N5S/c1-14-11-19-16-9-5-6-10-17(16)23-20(26(19)25-14)13-27-21-22-12-18(24-21)15-7-3-2-4-8-15;1-14-12-20-17-7-3-5-9-19(17)23-21(25(20)24-14)26-13-16-11-10-15-6-2-4-8-18(15)22-16;1-13-10-17-15-6-2-3-7-16(15)21-19(24(17)22-13)25-12-14-11-23-9-5-4-8-18(23)20-14/h2-12H,13H2,1H3,(H,22,24);2-12H,13H2,1H3;2-11H,12H2,1H3
InChIKeyDLMHJPXRMUPJCM-UHFFFAOYSA-N
XLogP14.04
TPSA149.44 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001073.35
LogP ≤ 514.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline (CID 87097933) is 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline is Cc1cc2c3ccccc3nc(CSc3ncc(-c4ccccc4)[nH]3)n2n1.Cc1cc2c3ccccc3nc(SCc3ccc4ccccc4n3)n2n1.Cc1cc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1.
What is the InChIKey of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline?
The InChIKey is DLMHJPXRMUPJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S.C21H16N4S.C19H15N5S/c1-14-11-19-16-9-5-6-10-17(16)23-20(26(19)25-14)13-27-21-22-12-18(24-21)15-7-3-2-4-8-15;1-14-12-20-17-7-3-5-9-19(17)23-21(25(20)24-14)26-13-16-11-10-15-6-2-4-8-18(15)22-16;1-13-10-17-15-6-2-3-7-16(15)21-19(24(17)22-13)25-12-14-11-23-9-5-4-8-18(23)20-14/h2-12H,13H2,1H3,(H,22,24);2-12H,13H2,1H3;2-11H,12H2,1H3.
What are the key properties of 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline?
5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline has a molecular weight of 1073.35 g/mol, XLogP of 14.04, 10 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 87097933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).