N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide

C21H16FN5O2 — CID 129202995

IUPACN-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(CF)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C21H16FN5O2/c1-13-17(6-7-29-13)21(28)25-20-18-8-14(10-23)3-5-19(18)27(26-20)12-15-2-4-16(9-22)24-11-15/h2-8,11H,9,12H2,1H3,(H,25,26,28)
InChIKeyQKUVSTMZFGOZEH-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.97
Rot. Bonds5

About N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide

N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 129202995) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
PubChem CID129202995
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC NameN-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(CF)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C21H16FN5O2/c1-13-17(6-7-29-13)21(28)25-20-18-8-14(10-23)3-5-19(18)27(26-20)12-15-2-4-16(9-22)24-11-15/h2-8,11H,9,12H2,1H3,(H,25,26,28)
InChIKeyQKUVSTMZFGOZEH-UHFFFAOYSA-N
XLogP3.97
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide (CID 129202995) is N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(CF)nc2)c2ccc(C#N)cc12.
What is the InChIKey of N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is QKUVSTMZFGOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-13-17(6-7-29-13)21(28)25-20-18-8-14(10-23)3-5-19(18)27(26-20)12-15-2-4-16(9-22)24-11-15/h2-8,11H,9,12H2,1H3,(H,25,26,28).
What are the key properties of N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide?
N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 129202995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).