N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

C24H20F4N6O2 — CID 163641721

About N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide

N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 163641721) has the molecular formula C24H20F4N6O2 and a molecular weight of 500.46 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
• PubChem CID: 163641721
• Molecular Formula: C24H20F4N6O2
• Molecular Weight: 500.46 g/mol
• Exact Mass: 500.16
• IUPAC Name: N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide
• SMILES: CC(F)Oc1cccc(-c2nn(-c3ncc(F)cn3)c3cc(C(=O)NCC4CC(F)(F)C4)cnc23)c1
• InChI: InChI=1S/C24H20F4N6O2/c1-13(25)36-18-4-2-3-15(5-18)20-21-19(34(33-20)23-31-11-17(26)12-32-23)6-16(10-29-21)22(35)30-9-14-7-24(27,28)8-14/h2-6,10-14H,7-9H2,1H3,(H,30,35)
• InChIKey: MJGZTWJOBHMBLI-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.46
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide (CID 163641721) is N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide.

What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is CC(F)Oc1cccc(-c2nn(-c3ncc(F)cn3)c3cc(C(=O)NCC4CC(F)(F)C4)cnc23)c1.

What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

The InChIKey is MJGZTWJOBHMBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O2/c1-13(25)36-18-4-2-3-15(5-18)20-21-19(34(33-20)23-31-11-17(26)12-32-23)6-16(10-29-21)22(35)30-9-14-7-24(27,28)8-14/h2-6,10-14H,7-9H2,1H3,(H,30,35).

What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide?

N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 500.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,3-difluorocyclobutyl)methyl]-3-[3-(1-fluoroethoxy)phenyl]-1-(5-fluoropyrimidin-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163641721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).