3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C23H24N6OS — CID 155568531

IUPAC3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(-c4cnn5c4CNCC5)cc3)sc2n1
InChIInChI=1S/C23H24N6OS/c1-14-2-7-17-20(24)21(31-23(17)28-14)22(30)26-9-8-15-3-5-16(6-4-15)18-12-27-29-11-10-25-13-19(18)29/h2-7,12,25H,8-11,13,24H2,1H3,(H,26,30)
InChIKeyZBQMCHDZBBWHKL-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.13
Rot. Bonds5

About 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155568531) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155568531
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(-c4cnn5c4CNCC5)cc3)sc2n1
InChIInChI=1S/C23H24N6OS/c1-14-2-7-17-20(24)21(31-23(17)28-14)22(30)26-9-8-15-3-5-16(6-4-15)18-12-27-29-11-10-25-13-19(18)29/h2-7,12,25H,8-11,13,24H2,1H3,(H,26,30)
InChIKeyZBQMCHDZBBWHKL-UHFFFAOYSA-N
XLogP3.13
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 155568531) is 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(-c4cnn5c4CNCC5)cc3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZBQMCHDZBBWHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-14-2-7-17-20(24)21(31-23(17)28-14)22(30)26-9-8-15-3-5-16(6-4-15)18-12-27-29-11-10-25-13-19(18)29/h2-7,12,25H,8-11,13,24H2,1H3,(H,26,30).
What are the key properties of 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155568531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).