N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine

C24H30N6S — CID 131980598

About N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 131980598) has the molecular formula C24H30N6S and a molecular weight of 434.61 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
• PubChem CID: 131980598
• Molecular Formula: C24H30N6S
• Molecular Weight: 434.61 g/mol
• Exact Mass: 434.23
• IUPAC Name: N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
• SMILES: CNCCN(C)Cc1cccc(-c2cc(-c3csc(C)n3)c3cnn(C(C)C)c3n2)c1
• InChI: InChI=1S/C24H30N6S/c1-16(2)30-24-21(13-26-30)20(23-15-31-17(3)27-23)12-22(28-24)19-8-6-7-18(11-19)14-29(5)10-9-25-4/h6-8,11-13,15-16,25H,9-10,14H2,1-5H3
• InChIKey: UCIVZVKSGQMODC-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.61
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?

The IUPAC name of N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine (CID 131980598) is N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine.

What is the SMILES notation for N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?

The canonical SMILES for N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cccc(-c2cc(-c3csc(C)n3)c3cnn(C(C)C)c3n2)c1.

What is the InChIKey of N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?

The InChIKey is UCIVZVKSGQMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6S/c1-16(2)30-24-21(13-26-30)20(23-15-31-17(3)27-23)12-22(28-24)19-8-6-7-18(11-19)14-29(5)10-9-25-4/h6-8,11-13,15-16,25H,9-10,14H2,1-5H3.

What are the key properties of N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine?

N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 434.61 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-dimethyl-N'-[[3-[4-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 131980598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).