2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide

C20H17F4N5O2 — CID 177050654

IUPAC2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NC2CCn3nc(-c4cc(C(F)(F)F)ncc4F)cc32)ccn1
InChIInChI=1S/C20H17F4N5O2/c1-2-31-18-7-11(3-5-25-18)19(30)27-14-4-6-29-16(14)9-15(28-29)12-8-17(20(22,23)24)26-10-13(12)21/h3,5,7-10,14H,2,4,6H2,1H3,(H,27,30)
InChIKeyIFSQRMMYCLIFMX-UHFFFAOYSA-N
MW435.38 g/mol
LogP3.77
Rot. Bonds5

About 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide

2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide (PubChem CID 177050654) has the molecular formula C20H17F4N5O2 and a molecular weight of 435.38 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide
PubChem CID177050654
Molecular FormulaC20H17F4N5O2
Molecular Weight435.38 g/mol
Exact Mass435.13
IUPAC Name2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NC2CCn3nc(-c4cc(C(F)(F)F)ncc4F)cc32)ccn1
InChIInChI=1S/C20H17F4N5O2/c1-2-31-18-7-11(3-5-25-18)19(30)27-14-4-6-29-16(14)9-15(28-29)12-8-17(20(22,23)24)26-10-13(12)21/h3,5,7-10,14H,2,4,6H2,1H3,(H,27,30)
InChIKeyIFSQRMMYCLIFMX-UHFFFAOYSA-N
XLogP3.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide (CID 177050654) is 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide is CCOc1cc(C(=O)NC2CCn3nc(-c4cc(C(F)(F)F)ncc4F)cc32)ccn1.
What is the InChIKey of 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide?
The InChIKey is IFSQRMMYCLIFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O2/c1-2-31-18-7-11(3-5-25-18)19(30)27-14-4-6-29-16(14)9-15(28-29)12-8-17(20(22,23)24)26-10-13(12)21/h3,5,7-10,14H,2,4,6H2,1H3,(H,27,30).
What are the key properties of 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide?
2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 177050654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).