1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol

C19H20N8OS — CID 44555148

IUPAC1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCCC3)n2)n1
InChIInChI=1S/C19H20N8OS/c1-11-10-29-17(21-11)15-14-16(24-18(20)23-15)27(26-25-14)9-12-5-4-6-13(22-12)19(28)7-2-3-8-19/h4-6,10,28H,2-3,7-9H2,1H3,(H2,20,23,24)
InChIKeyNCBRBZZVSUEOFQ-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.44
Rot. Bonds4

About 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol

1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol (PubChem CID 44555148) has the molecular formula C19H20N8OS and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol
PubChem CID44555148
Molecular FormulaC19H20N8OS
Molecular Weight408.49 g/mol
Exact Mass408.15
IUPAC Name1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCCC3)n2)n1
InChIInChI=1S/C19H20N8OS/c1-11-10-29-17(21-11)15-14-16(24-18(20)23-15)27(26-25-14)9-12-5-4-6-13(22-12)19(28)7-2-3-8-19/h4-6,10,28H,2-3,7-9H2,1H3,(H2,20,23,24)
InChIKeyNCBRBZZVSUEOFQ-UHFFFAOYSA-N
XLogP2.44
TPSA128.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol?
The IUPAC name of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol (CID 44555148) is 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol?
The canonical SMILES for 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol is Cc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(C3(O)CCCC3)n2)n1.
What is the InChIKey of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol?
The InChIKey is NCBRBZZVSUEOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8OS/c1-11-10-29-17(21-11)15-14-16(24-18(20)23-15)27(26-25-14)9-12-5-4-6-13(22-12)19(28)7-2-3-8-19/h4-6,10,28H,2-3,7-9H2,1H3,(H2,20,23,24).
What are the key properties of 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol?
1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol has a molecular weight of 408.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-amino-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]-2-pyridinyl]cyclopentan-1-ol is sourced from PubChem (CID 44555148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).