2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine

C14H11Cl2N5O — CID 87388103

IUPAC2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine
SMILESCc1nc2c(nc1-c1cc3nc(Cl)cc(Cl)n3n1)CCCO2
InChIInChI=1S/C14H11Cl2N5O/c1-7-13(18-8-3-2-4-22-14(8)17-7)9-5-12-19-10(15)6-11(16)21(12)20-9/h5-6H,2-4H2,1H3
InChIKeyWDVWMJDJGXNHGV-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.13
Rot. Bonds1

About 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine

2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine (PubChem CID 87388103) has the molecular formula C14H11Cl2N5O and a molecular weight of 336.18 g/mol. Its IUPAC name is 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine
PubChem CID87388103
Molecular FormulaC14H11Cl2N5O
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine
SMILESCc1nc2c(nc1-c1cc3nc(Cl)cc(Cl)n3n1)CCCO2
InChIInChI=1S/C14H11Cl2N5O/c1-7-13(18-8-3-2-4-22-14(8)17-7)9-5-12-19-10(15)6-11(16)21(12)20-9/h5-6H,2-4H2,1H3
InChIKeyWDVWMJDJGXNHGV-UHFFFAOYSA-N
XLogP3.13
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine?
The IUPAC name of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine (CID 87388103) is 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine.
What is the SMILES notation for 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine?
The canonical SMILES for 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine is Cc1nc2c(nc1-c1cc3nc(Cl)cc(Cl)n3n1)CCCO2.
What is the InChIKey of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine?
The InChIKey is WDVWMJDJGXNHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O/c1-7-13(18-8-3-2-4-22-14(8)17-7)9-5-12-19-10(15)6-11(16)21(12)20-9/h5-6H,2-4H2,1H3.
What are the key properties of 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine?
2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine has a molecular weight of 336.18 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloropyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-7,8-dihydro-6H-pyrano[2,3-b]pyrazine is sourced from PubChem (CID 87388103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).