N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide

C22H25ClF2N8O2 — CID 164558810

About N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide

N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 164558810) has the molecular formula C22H25ClF2N8O2 and a molecular weight of 506.95 g/mol. Its IUPAC name is N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide
• PubChem CID: 164558810
• Molecular Formula: C22H25ClF2N8O2
• Molecular Weight: 506.95 g/mol
• Exact Mass: 506.18
• IUPAC Name: N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide
• SMILES: CNc1c(N)ncc(Oc2cnn3cc(N(CCN4CCC(F)(F)C4)C(=O)C4CC4)ncc23)c1Cl
• InChI: InChI=1S/C22H25ClF2N8O2/c1-27-19-18(23)16(9-29-20(19)26)35-15-10-30-33-11-17(28-8-14(15)33)32(21(34)13-2-3-13)7-6-31-5-4-22(24,25)12-31/h8-11,13,27H,2-7,12H2,1H3,(H2,26,29)
• InChIKey: LYLOVNFAHMVQOQ-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 113.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.95
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide?

The IUPAC name of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide (CID 164558810) is N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide?

The canonical SMILES for N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide is CNc1c(N)ncc(Oc2cnn3cc(N(CCN4CCC(F)(F)C4)C(=O)C4CC4)ncc23)c1Cl.

What is the InChIKey of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide?

The InChIKey is LYLOVNFAHMVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2N8O2/c1-27-19-18(23)16(9-29-20(19)26)35-15-10-30-33-11-17(28-8-14(15)33)32(21(34)13-2-3-13)7-6-31-5-4-22(24,25)12-31/h8-11,13,27H,2-7,12H2,1H3,(H2,26,29).

What are the key properties of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide?

N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 506.95 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 164558810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).