6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile

C20H18FN7O2 — CID 176510960

IUPAC6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(C#N)nn12
InChIInChI=1S/C20H18FN7O2/c1-11(30-3)19-14(9-23-18-7-15(8-22)26-28(18)19)6-16(29)4-13-5-17(21)20-24-12(2)25-27(20)10-13/h5,7,9-11H,4,6H2,1-3H3/t11-/m0/s1
InChIKeyYQERTZCKMKUTOE-NSHDSACASA-N
MW407.41 g/mol
LogP2.15
Rot. Bonds6

About 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile

6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile (PubChem CID 176510960) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile
PubChem CID176510960
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC Name6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(C#N)nn12
InChIInChI=1S/C20H18FN7O2/c1-11(30-3)19-14(9-23-18-7-15(8-22)26-28(18)19)6-16(29)4-13-5-17(21)20-24-12(2)25-27(20)10-13/h5,7,9-11H,4,6H2,1-3H3/t11-/m0/s1
InChIKeyYQERTZCKMKUTOE-NSHDSACASA-N
XLogP2.15
TPSA110.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The IUPAC name of 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile (CID 176510960) is 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile.
What is the SMILES notation for 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The canonical SMILES for 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile is CO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3nc(C)nn3c2)cnc2cc(C#N)nn12.
What is the InChIKey of 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The InChIKey is YQERTZCKMKUTOE-NSHDSACASA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-11(30-3)19-14(9-23-18-7-15(8-22)26-28(18)19)6-16(29)4-13-5-17(21)20-24-12(2)25-27(20)10-13/h5,7,9-11H,4,6H2,1-3H3/t11-/m0/s1.
What are the key properties of 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile has a molecular weight of 407.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-oxopropyl]-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-2-carbonitrile is sourced from PubChem (CID 176510960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).