N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide

C21H18FN5O2 — CID 129052149

IUPACN-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(NC(=O)CF)c4)c3)ccc12
InChIInChI=1S/C21H18FN5O2/c22-10-19(28)24-16-3-1-2-13(8-16)11-27-12-15(5-7-20(27)29)14-4-6-17-18(9-14)25-26-21(17)23/h1-9,12H,10-11H2,(H,24,28)(H3,23,25,26)
InChIKeyPVCVQPFOVSKGFW-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.93
Rot. Bonds5

About N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide

N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide (PubChem CID 129052149) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide
PubChem CID129052149
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(NC(=O)CF)c4)c3)ccc12
InChIInChI=1S/C21H18FN5O2/c22-10-19(28)24-16-3-1-2-13(8-16)11-27-12-15(5-7-20(27)29)14-4-6-17-18(9-14)25-26-21(17)23/h1-9,12H,10-11H2,(H,24,28)(H3,23,25,26)
InChIKeyPVCVQPFOVSKGFW-UHFFFAOYSA-N
XLogP2.93
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide?
The IUPAC name of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide (CID 129052149) is N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide.
What is the SMILES notation for N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide?
The canonical SMILES for N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide is Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4cccc(NC(=O)CF)c4)c3)ccc12.
What is the InChIKey of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide?
The InChIKey is PVCVQPFOVSKGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-10-19(28)24-16-3-1-2-13(8-16)11-27-12-15(5-7-20(27)29)14-4-6-17-18(9-14)25-26-21(17)23/h1-9,12H,10-11H2,(H,24,28)(H3,23,25,26).
What are the key properties of N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide?
N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide has a molecular weight of 391.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3-amino-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]-2-fluoroacetamide is sourced from PubChem (CID 129052149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).