N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H16F4N6O2 — CID 177296023

IUPACN-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2cc(C(F)(F)F)nn2C)c(F)cn1
InChIInChI=1S/C18H16F4N6O2/c1-27-14(7-15(26-27)18(20,21)22)17(29)24-11-3-4-28-13(11)6-12(25-28)9-5-16(30-2)23-8-10(9)19/h5-8,11H,3-4H2,1-2H3,(H,24,29)/t11-/m1/s1
InChIKeyAOFGFYBJYMPECR-LLVKDONJSA-N
MW424.36 g/mol
LogP2.72
Rot. Bonds4

About N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177296023) has the molecular formula C18H16F4N6O2 and a molecular weight of 424.36 g/mol. Its IUPAC name is N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177296023
Molecular FormulaC18H16F4N6O2
Molecular Weight424.36 g/mol
Exact Mass424.13
IUPAC NameN-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2cc(C(F)(F)F)nn2C)c(F)cn1
InChIInChI=1S/C18H16F4N6O2/c1-27-14(7-15(26-27)18(20,21)22)17(29)24-11-3-4-28-13(11)6-12(25-28)9-5-16(30-2)23-8-10(9)19/h5-8,11H,3-4H2,1-2H3,(H,24,29)/t11-/m1/s1
InChIKeyAOFGFYBJYMPECR-LLVKDONJSA-N
XLogP2.72
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

3-fluoro-N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)benzamide
CID 177295959
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177296060
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
N-[2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-4-methylpent-4-enamide
CID 177050813
1-methyl-3-(trifluoromethyl)-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
CID 177050533
N-[(4S)-2-[2-(difluoromethoxy)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177050857
N-[(4S)-2-(2-ethyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051559
5-methoxy-2-methyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1,2,4-triazole-3-carboxamide
CID 177051596
3-cyano-N-[(4S)-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051330
3-cyano-4-fluoro-N-[(4S)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177050054
N-[(4R)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 177296047
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177296023) is N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1cc(-c2cc3n(n2)CC[C@H]3NC(=O)c2cc(C(F)(F)F)nn2C)c(F)cn1.
What is the InChIKey of N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is AOFGFYBJYMPECR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F4N6O2/c1-27-14(7-15(26-27)18(20,21)22)17(29)24-11-3-4-28-13(11)6-12(25-28)9-5-16(30-2)23-8-10(9)19/h5-8,11H,3-4H2,1-2H3,(H,24,29)/t11-/m1/s1.
What are the key properties of N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 424.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177296023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).