2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

C15H10N6S2 — CID 153383835

IUPAC2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCc1nc2sc(-c3ncc(-c4cn[nH]c4)c4cc[nH]c34)nc2s1
InChIInChI=1S/C15H10N6S2/c1-7-20-14-15(22-7)21-13(23-14)12-11-9(2-3-16-11)10(6-17-12)8-4-18-19-5-8/h2-6,16H,1H3,(H,18,19)
InChIKeyOWPSSZCCITTWAA-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.99
Rot. Bonds2

About 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 153383835) has the molecular formula C15H10N6S2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID153383835
Molecular FormulaC15H10N6S2
Molecular Weight338.42 g/mol
Exact Mass338.04
IUPAC Name2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCc1nc2sc(-c3ncc(-c4cn[nH]c4)c4cc[nH]c34)nc2s1
InChIInChI=1S/C15H10N6S2/c1-7-20-14-15(22-7)21-13(23-14)12-11-9(2-3-16-11)10(6-17-12)8-4-18-19-5-8/h2-6,16H,1H3,(H,18,19)
InChIKeyOWPSSZCCITTWAA-UHFFFAOYSA-N
XLogP3.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 153383835) is 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is Cc1nc2sc(-c3ncc(-c4cn[nH]c4)c4cc[nH]c34)nc2s1.
What is the InChIKey of 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is OWPSSZCCITTWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6S2/c1-7-20-14-15(22-7)21-13(23-14)12-11-9(2-3-16-11)10(6-17-12)8-4-18-19-5-8/h2-6,16H,1H3,(H,18,19).
What are the key properties of 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 338.42 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 153383835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).