4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C14H11ClN4 — CID 18473274

IUPAC4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C14H11ClN4/c15-10-2-1-9-4-6-19(12(9)7-10)14-11-3-5-16-13(11)17-8-18-14/h1-3,5,7-8H,4,6H2,(H,16,17,18)
InChIKeyQFWXJNYIINNXFM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.31
Rot. Bonds1

About 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 18473274) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID18473274
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C14H11ClN4/c15-10-2-1-9-4-6-19(12(9)7-10)14-11-3-5-16-13(11)17-8-18-14/h1-3,5,7-8H,4,6H2,(H,16,17,18)
InChIKeyQFWXJNYIINNXFM-UHFFFAOYSA-N
XLogP3.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 18473274) is 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is Clc1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QFWXJNYIINNXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-10-2-1-9-4-6-19(12(9)7-10)14-11-3-5-16-13(11)17-8-18-14/h1-3,5,7-8H,4,6H2,(H,16,17,18).
What are the key properties of 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 270.72 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 18473274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).