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

C20H21N7O2S — CID 56952493

IUPAC5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)n3nccc3n2)n1
InChIInChI=1S/C20H21N7O2S/c1-12-25-26-20(30-12)10-21-17-9-19(24-16-6-7-22-27(16)17)29-11-13-8-14(13)15-4-3-5-18(23-15)28-2/h3-7,9,13-14,21H,8,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyKVTLCEYVDDADHH-KGLIPLIRSA-N
MW423.50 g/mol
LogP3.09
Rot. Bonds8

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

5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56952493) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56952493
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)n3nccc3n2)n1
InChIInChI=1S/C20H21N7O2S/c1-12-25-26-20(30-12)10-21-17-9-19(24-16-6-7-22-27(16)17)29-11-13-8-14(13)15-4-3-5-18(23-15)28-2/h3-7,9,13-14,21H,8,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyKVTLCEYVDDADHH-KGLIPLIRSA-N
XLogP3.09
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56952493) is 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)n3nccc3n2)n1.
What is the InChIKey of 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KVTLCEYVDDADHH-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-12-25-26-20(30-12)10-21-17-9-19(24-16-6-7-22-27(16)17)29-11-13-8-14(13)15-4-3-5-18(23-15)28-2/h3-7,9,13-14,21H,8,10-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 423.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S)-2-(6-methoxy-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56952493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).