5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide

C20H14FN5O3 — CID 137349262

IUPAC5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
SMILESCN1C=C[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4cc(F)ccc43)c2)C1=O
InChIInChI=1S/C20H14FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,7-11,29H,1H3,(H2,22,27)/t20-/m0/s1
InChIKeyZZMZSZVGWQGKCR-FQEVSTJZSA-N
MW391.36 g/mol
LogP0.73
Rot. Bonds2

About 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide

5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide (PubChem CID 137349262) has the molecular formula C20H14FN5O3 and a molecular weight of 391.36 g/mol. Its IUPAC name is 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
PubChem CID137349262
Molecular FormulaC20H14FN5O3
Molecular Weight391.36 g/mol
Exact Mass391.11
IUPAC Name5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
SMILESCN1C=C[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4cc(F)ccc43)c2)C1=O
InChIInChI=1S/C20H14FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,7-11,29H,1H3,(H2,22,27)/t20-/m0/s1
InChIKeyZZMZSZVGWQGKCR-FQEVSTJZSA-N
XLogP0.73
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide with MolForge

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Related Compounds

US9605005, Example 54
CID 117923543
US9605005, Example 51
CID 117911755
US9605005, Example 53
CID 117912362
US9605005, Example 52
CID 117923525
US9605005, Example 81
CID 117911819
US9605005, Example 72
CID 117911704
US9605005, Example 71
CID 117911769
US9605005, Example 63
CID 117912027
US9605005, Example 18
CID 117912193
US9605005, Example 31
CID 117912218
US9605005, Example 75
CID 117923708
US9605005, Example 36
CID 117911763

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide (CID 137349262) is 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide is CN1C=C[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4cc(F)ccc43)c2)C1=O.
What is the InChIKey of 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The InChIKey is ZZMZSZVGWQGKCR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H14FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,7-11,29H,1H3,(H2,22,27)/t20-/m0/s1.
What are the key properties of 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide has a molecular weight of 391.36 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrol-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 137349262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).