5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C20H19F4N5O2 — CID 166721274

IUPAC5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1c(F)ccc2[nH]c(C(=O)N3CCn4ncc(C(=O)NC(C)C(F)(F)F)c4C3)cc12
InChIInChI=1S/C20H19F4N5O2/c1-10-12-7-16(27-15(12)4-3-14(10)21)19(31)28-5-6-29-17(9-28)13(8-25-29)18(30)26-11(2)20(22,23)24/h3-4,7-8,11,27H,5-6,9H2,1-2H3,(H,26,30)
InChIKeyOWGXAJOPJMISTC-UHFFFAOYSA-N
MW437.40 g/mol
LogP3.15
Rot. Bonds3

About 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 166721274) has the molecular formula C20H19F4N5O2 and a molecular weight of 437.40 g/mol. Its IUPAC name is 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID166721274
Molecular FormulaC20H19F4N5O2
Molecular Weight437.40 g/mol
Exact Mass437.15
IUPAC Name5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1c(F)ccc2[nH]c(C(=O)N3CCn4ncc(C(=O)NC(C)C(F)(F)F)c4C3)cc12
InChIInChI=1S/C20H19F4N5O2/c1-10-12-7-16(27-15(12)4-3-14(10)21)19(31)28-5-6-29-17(9-28)13(8-25-29)18(30)26-11(2)20(22,23)24/h3-4,7-8,11,27H,5-6,9H2,1-2H3,(H,26,30)
InChIKeyOWGXAJOPJMISTC-UHFFFAOYSA-N
XLogP3.15
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
CID 155260063
5-N-(3,4-difluorophenyl)-3-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 162616186
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155260056
5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 155255571
5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxamide
CID 155255615
7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155260039
5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155259952
(6R)-5-N-(3,4-difluorophenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 137452622
3-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]methyl-methylamino]cyclopropyl]benzoic acid
CID 155259970
5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134787719
5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 156773149
1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 166203080

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 166721274) is 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1c(F)ccc2[nH]c(C(=O)N3CCn4ncc(C(=O)NC(C)C(F)(F)F)c4C3)cc12.
What is the InChIKey of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is OWGXAJOPJMISTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O2/c1-10-12-7-16(27-15(12)4-3-14(10)21)19(31)28-5-6-29-17(9-28)13(8-25-29)18(30)26-11(2)20(22,23)24/h3-4,7-8,11,27H,5-6,9H2,1-2H3,(H,26,30).
What are the key properties of 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 437.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166721274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).