N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C30H30F2N10 — CID 136945486

About N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 136945486) has the molecular formula C30H30F2N10 and a molecular weight of 568.64 g/mol. Its IUPAC name is N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 136945486
• Molecular Formula: C30H30F2N10
• Molecular Weight: 568.64 g/mol
• Exact Mass: 568.26
• IUPAC Name: N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C30H30F2N10/c1-16(2)37-21-11-18(13-33-14-21)22-15-36-29-24(25(22)32)28(40-41-29)30-38-23-5-6-35-26(27(23)39-30)17-9-19(31)12-20(10-17)34-7-8-42(3)4/h5-6,9-16,34,37H,7-8H2,1-4H3,(H,38,39)(H,36,40,41)
• InChIKey: DFRUGLRBUWFENZ-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 123.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.64
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 136945486) is N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(F)cc(NCCN(C)C)c6)nccc5[nH]4)c3c2F)c1.

What is the InChIKey of N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is DFRUGLRBUWFENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N10/c1-16(2)37-21-11-18(13-33-14-21)22-15-36-29-24(25(22)32)28(40-41-29)30-38-23-5-6-35-26(27(23)39-30)17-9-19(31)12-20(10-17)34-7-8-42(3)4/h5-6,9-16,34,37H,7-8H2,1-4H3,(H,38,39)(H,36,40,41).

What are the key properties of N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 568.64 g/mol, XLogP of 5.70, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-5-[2-[4-fluoro-5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 136945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).