5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine

C18H14ClN5O2 — CID 67035180

IUPAC5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cccnc3)c2c1Cl
InChIInChI=1S/C18H14ClN5O2/c1-2-13-15(19)14-16(22-13)23-18(26-12-6-4-8-21-10-12)24-17(14)25-11-5-3-7-20-9-11/h3-10H,2H2,1H3,(H,22,23,24)
InChIKeyMZOFLKXSJCNXQF-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.55
Rot. Bonds5

About 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine

5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67035180) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID67035180
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cccnc3)c2c1Cl
InChIInChI=1S/C18H14ClN5O2/c1-2-13-15(19)14-16(22-13)23-18(26-12-6-4-8-21-10-12)24-17(14)25-11-5-3-7-20-9-11/h3-10H,2H2,1H3,(H,22,23,24)
InChIKeyMZOFLKXSJCNXQF-UHFFFAOYSA-N
XLogP4.55
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine (CID 67035180) is 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine is CCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cccnc3)c2c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MZOFLKXSJCNXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-2-13-15(19)14-16(22-13)23-18(26-12-6-4-8-21-10-12)24-17(14)25-11-5-3-7-20-9-11/h3-10H,2H2,1H3,(H,22,23,24).
What are the key properties of 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 367.80 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-2,4-dipyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67035180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).