2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile

C17H13N7OS — CID 123741409

IUPAC2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
SMILESCn1ccc(COc2nccc(C(C#N)c3nc4cccnc4s3)n2)n1
InChIInChI=1S/C17H13N7OS/c1-24-8-5-11(23-24)10-25-17-20-7-4-13(22-17)12(9-18)15-21-14-3-2-6-19-16(14)26-15/h2-8,12H,10H2,1H3
InChIKeySUHZMTMVUKSPKO-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.45
Rot. Bonds5

About 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile

2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile (PubChem CID 123741409) has the molecular formula C17H13N7OS and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
PubChem CID123741409
Molecular FormulaC17H13N7OS
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
SMILESCn1ccc(COc2nccc(C(C#N)c3nc4cccnc4s3)n2)n1
InChIInChI=1S/C17H13N7OS/c1-24-8-5-11(23-24)10-25-17-20-7-4-13(22-17)12(9-18)15-21-14-3-2-6-19-16(14)26-15/h2-8,12H,10H2,1H3
InChIKeySUHZMTMVUKSPKO-UHFFFAOYSA-N
XLogP2.45
TPSA102.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
The IUPAC name of 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile (CID 123741409) is 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile is Cn1ccc(COc2nccc(C(C#N)c3nc4cccnc4s3)n2)n1.
What is the InChIKey of 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
The InChIKey is SUHZMTMVUKSPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7OS/c1-24-8-5-11(23-24)10-25-17-20-7-4-13(22-17)12(9-18)15-21-14-3-2-6-19-16(14)26-15/h2-8,12H,10H2,1H3.
What are the key properties of 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile?
2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile has a molecular weight of 363.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile is sourced from PubChem (CID 123741409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).