4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

C24H23F3N6O2 — CID 70972889

IUPAC4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccnc2c1c(C(=O)NCC(OC(C)C)c1ccc(C(F)(F)F)nc1)cn2-c1ncccn1
InChIInChI=1S/C24H23F3N6O2/c1-14(2)35-18(16-5-6-19(31-11-16)24(25,26)27)12-32-22(34)17-13-33(23-29-8-4-9-30-23)21-20(17)15(3)7-10-28-21/h4-11,13-14,18H,12H2,1-3H3,(H,32,34)
InChIKeyJLSFOIIVAZEZKI-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.43
Rot. Bonds7

About 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 70972889) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID70972889
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccnc2c1c(C(=O)NCC(OC(C)C)c1ccc(C(F)(F)F)nc1)cn2-c1ncccn1
InChIInChI=1S/C24H23F3N6O2/c1-14(2)35-18(16-5-6-19(31-11-16)24(25,26)27)12-32-22(34)17-13-33(23-29-8-4-9-30-23)21-20(17)15(3)7-10-28-21/h4-11,13-14,18H,12H2,1-3H3,(H,32,34)
InChIKeyJLSFOIIVAZEZKI-UHFFFAOYSA-N
XLogP4.43
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 70972889) is 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccnc2c1c(C(=O)NCC(OC(C)C)c1ccc(C(F)(F)F)nc1)cn2-c1ncccn1.
What is the InChIKey of 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JLSFOIIVAZEZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-14(2)35-18(16-5-6-19(31-11-16)24(25,26)27)12-32-22(34)17-13-33(23-29-8-4-9-30-23)21-20(17)15(3)7-10-28-21/h4-11,13-14,18H,12H2,1-3H3,(H,32,34).
What are the key properties of 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-propan-2-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 70972889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).