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

C19H19N7OS — CID 56952794

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nnc(CNc2cc(OC[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C19H19N7OS/c1-12-24-25-19(28-12)10-21-17-9-18(23-16-5-7-22-26(16)17)27-11-13-8-14(13)15-4-2-3-6-20-15/h2-7,9,13-14,21H,8,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyARRKLOALIJFXBS-UONOGXRCSA-N
MW393.48 g/mol
LogP3.08
Rot. Bonds7

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

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56952794) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56952794
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nnc(CNc2cc(OC[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1
InChIInChI=1S/C19H19N7OS/c1-12-24-25-19(28-12)10-21-17-9-18(23-16-5-7-22-26(16)17)27-11-13-8-14(13)15-4-2-3-6-20-15/h2-7,9,13-14,21H,8,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyARRKLOALIJFXBS-UONOGXRCSA-N
XLogP3.08
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56952794) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nnc(CNc2cc(OC[C@@H]3C[C@H]3c3ccccn3)nc3ccnn23)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ARRKLOALIJFXBS-UONOGXRCSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-12-24-25-19(28-12)10-21-17-9-18(23-16-5-7-22-26(16)17)27-11-13-8-14(13)15-4-2-3-6-20-15/h2-7,9,13-14,21H,8,10-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56952794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).