N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

C30H27N7S — CID 145248554

About N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine

N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145248554) has the molecular formula C30H27N7S and a molecular weight of 517.66 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145248554
• Molecular Formula: C30H27N7S
• Molecular Weight: 517.66 g/mol
• Exact Mass: 517.20
• IUPAC Name: N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(C)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=C)C(C)C)c6)cc45)cc23)s1
• InChI: InChI=1S/C30H27N7S/c1-16(2)18(5)34-21-10-19(13-31-15-21)20-11-23-28(36-37-30(23)33-14-20)25-12-22-24(35-25)8-9-32-29(22)27-7-6-26(38-27)17(3)4/h6-16,34-35H,3,5H2,1-2,4H3,(H,33,36,37)
• InChIKey: CRSXSOYNRMYBEK-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.66
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine (CID 145248554) is N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is C=C(C)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=C)C(C)C)c6)cc45)cc23)s1.

What is the InChIKey of N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is CRSXSOYNRMYBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7S/c1-16(2)18(5)34-21-10-19(13-31-15-21)20-11-23-28(36-37-30(23)33-14-20)25-12-22-24(35-25)8-9-32-29(22)27-7-6-26(38-27)17(3)4/h6-16,34-35H,3,5H2,1-2,4H3,(H,33,36,37).

What are the key properties of N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine?

N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 517.66 g/mol, XLogP of 7.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbut-1-en-2-yl)-5-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145248554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).