7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine

C25H23ClF3N9O — CID 164559415

About 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine

7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (PubChem CID 164559415) has the molecular formula C25H23ClF3N9O and a molecular weight of 557.97 g/mol. Its IUPAC name is 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
• PubChem CID: 164559415
• Molecular Formula: C25H23ClF3N9O
• Molecular Weight: 557.97 g/mol
• Exact Mass: 557.17
• IUPAC Name: 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
• SMILES: CN1CCN(c2cc(Nc3nc4ncc(Oc5cnn6ccncc56)c(Cl)c4n3C)cc(C(F)(F)F)c2)CC1
• InChI: InChI=1S/C25H23ClF3N9O/c1-35-5-7-37(8-6-35)17-10-15(25(27,28)29)9-16(11-17)33-24-34-23-22(36(24)2)21(26)20(13-31-23)39-19-14-32-38-4-3-30-12-18(19)38/h3-4,9-14H,5-8H2,1-2H3,(H,31,33,34)
• InChIKey: YBMQSWLZMAWAGZ-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 88.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.97
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (CID 164559415) is 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is CN1CCN(c2cc(Nc3nc4ncc(Oc5cnn6ccncc56)c(Cl)c4n3C)cc(C(F)(F)F)c2)CC1.

What is the InChIKey of 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

The InChIKey is YBMQSWLZMAWAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N9O/c1-35-5-7-37(8-6-35)17-10-15(25(27,28)29)9-16(11-17)33-24-34-23-22(36(24)2)21(26)20(13-31-23)39-19-14-32-38-4-3-30-12-18(19)38/h3-4,9-14H,5-8H2,1-2H3,(H,31,33,34).

What are the key properties of 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine?

7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine has a molecular weight of 557.97 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164559415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).