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

C19H18FN7OS — CID 56952987

IUPAC6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nnc(CNc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C19H18FN7OS/c1-11-25-26-16(29-11)9-22-18-17(20)19(24-15-5-7-23-27(15)18)28-10-12-8-13(12)14-4-2-3-6-21-14/h2-7,12-13,22H,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyUEVBPMMCTZPCRC-OLZOCXBDSA-N
MW411.47 g/mol
LogP3.22
Rot. Bonds7

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

6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56952987) has the molecular formula C19H18FN7OS and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56952987
Molecular FormulaC19H18FN7OS
Molecular Weight411.47 g/mol
Exact Mass411.13
IUPAC Name6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nnc(CNc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C19H18FN7OS/c1-11-25-26-16(29-11)9-22-18-17(20)19(24-15-5-7-23-27(15)18)28-10-12-8-13(12)14-4-2-3-6-21-14/h2-7,12-13,22H,8-10H2,1H3/t12-,13+/m1/s1
InChIKeyUEVBPMMCTZPCRC-OLZOCXBDSA-N
XLogP3.22
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56952987) is 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nnc(CNc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1.
What is the InChIKey of 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UEVBPMMCTZPCRC-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H18FN7OS/c1-11-25-26-16(29-11)9-22-18-17(20)19(24-15-5-7-23-27(15)18)28-10-12-8-13(12)14-4-2-3-6-21-14/h2-7,12-13,22H,8-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 411.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56952987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).