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

C26H24ClF3N8O2 — CID 164559559

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

7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (PubChem CID 164559559) has the molecular formula C26H24ClF3N8O2 and a molecular weight of 572.98 g/mol. Its IUPAC name is 7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
• PubChem CID: 164559559
• Molecular Formula: C26H24ClF3N8O2
• Molecular Weight: 572.98 g/mol
• Exact Mass: 572.17
• IUPAC Name: 7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
• SMILES: CO[C@H]1CCN(Cc2ccc(Nc3nc4ncc(Oc5cnn6ccncc56)c(Cl)c4n3C)cc2C(F)(F)F)C1
• InChI: InChI=1S/C26H24ClF3N8O2/c1-36-23-22(27)21(40-20-12-33-38-8-6-31-10-19(20)38)11-32-24(23)35-25(36)34-16-4-3-15(18(9-16)26(28,29)30)13-37-7-5-17(14-37)39-2/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3,(H,32,34,35)/t17-/m0/s1
• InChIKey: CZSLHNIGKYVZMK-KRWDZBQOSA-N
• XLogP: 5.44
• TPSA: 94.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.98
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine (CID 164559559) is 7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine.

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

The canonical SMILES for 7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is CO[C@H]1CCN(Cc2ccc(Nc3nc4ncc(Oc5cnn6ccncc56)c(Cl)c4n3C)cc2C(F)(F)F)C1.

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

The InChIKey is CZSLHNIGKYVZMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H24ClF3N8O2/c1-36-23-22(27)21(40-20-12-33-38-8-6-31-10-19(20)38)11-32-24(23)35-25(36)34-16-4-3-15(18(9-16)26(28,29)30)13-37-7-5-17(14-37)39-2/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3,(H,32,34,35)/t17-/m0/s1.

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

7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine has a molecular weight of 572.98 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164559559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).