2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole

C20H19FN6OS — CID 159857330

IUPAC2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CCc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C20H19FN6OS/c1-12-25-26-18(29-12)6-5-16-19(21)20(24-17-7-9-23-27(16)17)28-11-13-10-14(13)15-4-2-3-8-22-15/h2-4,7-9,13-14H,5-6,10-11H2,1H3/t13-,14+/m1/s1
InChIKeyNQRQFUNRHTXSFI-KGLIPLIRSA-N
MW410.48 g/mol
LogP3.39
Rot. Bonds7

About 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole

2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 159857330) has the molecular formula C20H19FN6OS and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole
PubChem CID159857330
Molecular FormulaC20H19FN6OS
Molecular Weight410.48 g/mol
Exact Mass410.13
IUPAC Name2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CCc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C20H19FN6OS/c1-12-25-26-18(29-12)6-5-16-19(21)20(24-17-7-9-23-27(16)17)28-11-13-10-14(13)15-4-2-3-8-22-15/h2-4,7-9,13-14H,5-6,10-11H2,1H3/t13-,14+/m1/s1
InChIKeyNQRQFUNRHTXSFI-KGLIPLIRSA-N
XLogP3.39
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole (CID 159857330) is 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(CCc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1.
What is the InChIKey of 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is NQRQFUNRHTXSFI-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H19FN6OS/c1-12-25-26-18(29-12)6-5-16-19(21)20(24-17-7-9-23-27(16)17)28-11-13-10-14(13)15-4-2-3-8-22-15/h2-4,7-9,13-14H,5-6,10-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 410.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-fluoro-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 159857330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).