5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C19H16F3N5 — CID 71603595

IUPAC5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccncc3C)cc2c1
InChIInChI=1S/C19H16F3N5/c1-3-27-16(8-17(26-27)19(20,21)22)13-6-12-7-15(25-18(12)24-10-13)14-4-5-23-9-11(14)2/h4-10H,3H2,1-2H3,(H,24,25)
InChIKeyKMPYMXPQUOWXKK-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.84
Rot. Bonds3

About 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71603595) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71603595
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccncc3C)cc2c1
InChIInChI=1S/C19H16F3N5/c1-3-27-16(8-17(26-27)19(20,21)22)13-6-12-7-15(25-18(12)24-10-13)14-4-5-23-9-11(14)2/h4-10H,3H2,1-2H3,(H,24,25)
InChIKeyKMPYMXPQUOWXKK-UHFFFAOYSA-N
XLogP4.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 71603595) is 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is CCn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(-c3ccncc3C)cc2c1.
What is the InChIKey of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KMPYMXPQUOWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c1-3-27-16(8-17(26-27)19(20,21)22)13-6-12-7-15(25-18(12)24-10-13)14-4-5-23-9-11(14)2/h4-10H,3H2,1-2H3,(H,24,25).
What are the key properties of 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 371.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71603595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).