1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea

C15H14Cl2N6O2 — CID 155250890

IUPAC1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea
SMILESCOCCc1c(NC(=O)Nc2cncc(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C15H14Cl2N6O2/c1-25-3-2-12-11(8-19-14-5-13(17)22-23(12)14)21-15(24)20-10-4-9(16)6-18-7-10/h4-8H,2-3H2,1H3,(H2,20,21,24)
InChIKeyQRBBOLVCQWKEMO-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea

1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea (PubChem CID 155250890) has the molecular formula C15H14Cl2N6O2 and a molecular weight of 381.22 g/mol. Its IUPAC name is 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea
PubChem CID155250890
Molecular FormulaC15H14Cl2N6O2
Molecular Weight381.22 g/mol
Exact Mass380.06
IUPAC Name1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea
SMILESCOCCc1c(NC(=O)Nc2cncc(Cl)c2)cnc2cc(Cl)nn12
InChIInChI=1S/C15H14Cl2N6O2/c1-25-3-2-12-11(8-19-14-5-13(17)22-23(12)14)21-15(24)20-10-4-9(16)6-18-7-10/h4-8H,2-3H2,1H3,(H2,20,21,24)
InChIKeyQRBBOLVCQWKEMO-UHFFFAOYSA-N
XLogP3.26
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea?
The IUPAC name of 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea (CID 155250890) is 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea?
The canonical SMILES for 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea is COCCc1c(NC(=O)Nc2cncc(Cl)c2)cnc2cc(Cl)nn12.
What is the InChIKey of 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea?
The InChIKey is QRBBOLVCQWKEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6O2/c1-25-3-2-12-11(8-19-14-5-13(17)22-23(12)14)21-15(24)20-10-4-9(16)6-18-7-10/h4-8H,2-3H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea?
1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea has a molecular weight of 381.22 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-3-pyridinyl)urea is sourced from PubChem (CID 155250890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).