N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C18H18FN5O2 — CID 146039353

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C18H18FN5O2/c1-22-5-6-24-16(18(22)26)9-15(21-24)17(25)23(2)10-13-8-11-7-12(19)3-4-14(11)20-13/h3-4,7-9,20H,5-6,10H2,1-2H3
InChIKeyDAKSIXDVFTZVJV-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.86
Rot. Bonds3

About N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 146039353) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID146039353
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C18H18FN5O2/c1-22-5-6-24-16(18(22)26)9-15(21-24)17(25)23(2)10-13-8-11-7-12(19)3-4-14(11)20-13/h3-4,7-9,20H,5-6,10H2,1-2H3
InChIKeyDAKSIXDVFTZVJV-UHFFFAOYSA-N
XLogP1.86
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 146039353) is N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc2n(n1)CCN(C)C2=O.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is DAKSIXDVFTZVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-22-5-6-24-16(18(22)26)9-15(21-24)17(25)23(2)10-13-8-11-7-12(19)3-4-14(11)20-13/h3-4,7-9,20H,5-6,10H2,1-2H3.
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-N,5-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146039353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).