N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide

C23H19F4N5O2 — CID 157180285

IUPACN-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2cc(F)c(-c3cnc4n[nH]c(C)c4c3)cc2F)cc1C(C)(F)F
InChIInChI=1S/C23H19F4N5O2/c1-11-15-4-13(9-28-21(15)32-31-11)16-8-18(24)12(5-19(16)25)6-20(33)30-14-7-17(23(2,26)27)22(34-3)29-10-14/h4-5,7-10H,6H2,1-3H3,(H,30,33)(H,28,31,32)
InChIKeyAOMMEEBEQYEWDM-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.91
Rot. Bonds6

About N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide

N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide (PubChem CID 157180285) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide
PubChem CID157180285
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC NameN-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2cc(F)c(-c3cnc4n[nH]c(C)c4c3)cc2F)cc1C(C)(F)F
InChIInChI=1S/C23H19F4N5O2/c1-11-15-4-13(9-28-21(15)32-31-11)16-8-18(24)12(5-19(16)25)6-20(33)30-14-7-17(23(2,26)27)22(34-3)29-10-14/h4-5,7-10H,6H2,1-3H3,(H,30,33)(H,28,31,32)
InChIKeyAOMMEEBEQYEWDM-UHFFFAOYSA-N
XLogP4.91
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
The IUPAC name of N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide (CID 157180285) is N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide is COc1ncc(NC(=O)Cc2cc(F)c(-c3cnc4n[nH]c(C)c4c3)cc2F)cc1C(C)(F)F.
What is the InChIKey of N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
The InChIKey is AOMMEEBEQYEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-11-15-4-13(9-28-21(15)32-31-11)16-8-18(24)12(5-19(16)25)6-20(33)30-14-7-17(23(2,26)27)22(34-3)29-10-14/h4-5,7-10H,6H2,1-3H3,(H,30,33)(H,28,31,32).
What are the key properties of N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide?
N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide has a molecular weight of 473.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[2,5-difluoro-4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]acetamide is sourced from PubChem (CID 157180285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).