4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

C23H18F3N5O3 — CID 164907385

IUPAC4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
SMILESCc1ccc(Cn2cc3c(C)cc4oc(C(=O)NCc5ncco5)c(C(F)(F)F)c4c3n2)nc1
InChIInChI=1S/C23H18F3N5O3/c1-12-3-4-14(28-8-12)10-31-11-15-13(2)7-16-18(20(15)30-31)19(23(24,25)26)21(34-16)22(32)29-9-17-27-5-6-33-17/h3-8,11H,9-10H2,1-2H3,(H,29,32)
InChIKeyIVCOEXJAKIHGRJ-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.78
Rot. Bonds5

About 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (PubChem CID 164907385) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
PubChem CID164907385
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC Name4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
SMILESCc1ccc(Cn2cc3c(C)cc4oc(C(=O)NCc5ncco5)c(C(F)(F)F)c4c3n2)nc1
InChIInChI=1S/C23H18F3N5O3/c1-12-3-4-14(28-8-12)10-31-11-15-13(2)7-16-18(20(15)30-31)19(23(24,25)26)21(34-16)22(32)29-9-17-27-5-6-33-17/h3-8,11H,9-10H2,1-2H3,(H,29,32)
InChIKeyIVCOEXJAKIHGRJ-UHFFFAOYSA-N
XLogP4.78
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The IUPAC name of 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (CID 164907385) is 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is Cc1ccc(Cn2cc3c(C)cc4oc(C(=O)NCc5ncco5)c(C(F)(F)F)c4c3n2)nc1.
What is the InChIKey of 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The InChIKey is IVCOEXJAKIHGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c1-12-3-4-14(28-8-12)10-31-11-15-13(2)7-16-18(20(15)30-31)19(23(24,25)26)21(34-16)22(32)29-9-17-27-5-6-33-17/h3-8,11H,9-10H2,1-2H3,(H,29,32).
What are the key properties of 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide has a molecular weight of 469.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-2-pyridinyl)methyl]-N-(1,3-oxazol-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 164907385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).