ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C58H48F2N14S2 — CID 145248615

About ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine

ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 145248615) has the molecular formula C58H48F2N14S2 and a molecular weight of 1043.25 g/mol. Its IUPAC name is ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 145248615
• Molecular Formula: C58H48F2N14S2
• Molecular Weight: 1043.25 g/mol
• Exact Mass: 1042.36
• IUPAC Name: ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
• SMILES: C=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.CC.CN(C)Cc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C31H22FN7S.C25H20FN7S.C2H6/c1-18(11-19-5-3-2-4-6-19)36-22-12-20(15-33-17-22)21-13-24-29(38-39-31(24)35-16-21)26-14-23-25(37-26)9-10-34-30(23)27-7-8-28(32)40-27;1-33(2)13-14-7-15(11-27-10-14)16-8-18-23(31-32-25(18)29-12-16)20-9-17-19(30-20)5-6-28-24(17)21-3-4-22(26)34-21;1-2/h2-10,12-17,36-37H,1,11H2,(H,35,38,39);3-12,30H,13H2,1-2H3,(H,29,31,32);1-2H3
• InChIKey: RTJRHIDGMJNRPO-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 181.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.25
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

The IUPAC name of ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 145248615) is ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

What is the SMILES notation for ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

The canonical SMILES for ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is C=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.CC.CN(C)Cc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

The InChIKey is RTJRHIDGMJNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN7S.C25H20FN7S.C2H6/c1-18(11-19-5-3-2-4-6-19)36-22-12-20(15-33-17-22)21-13-24-29(38-39-31(24)35-16-21)26-14-23-25(37-26)9-10-34-30(23)27-7-8-28(32)40-27;1-33(2)13-14-7-15(11-27-10-14)16-8-18-23(31-32-25(18)29-12-16)20-9-17-19(30-20)5-6-28-24(17)21-3-4-22(26)34-21;1-2/h2-10,12-17,36-37H,1,11H2,(H,35,38,39);3-12,30H,13H2,1-2H3,(H,29,31,32);1-2H3.

What are the key properties of ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine?

ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 1043.25 g/mol, XLogP of 14.12, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine;1-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 145248615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).