N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

C19H16FN5O2 — CID 129203011

IUPACN-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(CF)nc2)c2ccccc12
InChIInChI=1S/C19H16FN5O2/c1-12-16(11-27-24-12)19(26)22-18-15-4-2-3-5-17(15)25(23-18)10-13-6-7-14(8-20)21-9-13/h2-7,9,11H,8,10H2,1H3,(H,22,23,26)
InChIKeyYPRFLNHFUWDCNV-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.50
Rot. Bonds5

About N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 129203011) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID129203011
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(CF)nc2)c2ccccc12
InChIInChI=1S/C19H16FN5O2/c1-12-16(11-27-24-12)19(26)22-18-15-4-2-3-5-17(15)25(23-18)10-13-6-7-14(8-20)21-9-13/h2-7,9,11H,8,10H2,1H3,(H,22,23,26)
InChIKeyYPRFLNHFUWDCNV-UHFFFAOYSA-N
XLogP3.50
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 129203011) is N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(CF)nc2)c2ccccc12.
What is the InChIKey of N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YPRFLNHFUWDCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-12-16(11-27-24-12)19(26)22-18-15-4-2-3-5-17(15)25(23-18)10-13-6-7-14(8-20)21-9-13/h2-7,9,11H,8,10H2,1H3,(H,22,23,26).
What are the key properties of N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 129203011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).