2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H9ClN6 — CID 143767417

IUPAC2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1nc(Nc2cccc3[nH]ncc23)c2cc[nH]c2n1
InChIInChI=1S/C13H9ClN6/c14-13-18-11-7(4-5-15-11)12(19-13)17-9-2-1-3-10-8(9)6-16-20-10/h1-6H,(H,16,20)(H2,15,17,18,19)
InChIKeyZBXXDXKUMIHMKF-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.23
Rot. Bonds2

About 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 143767417) has the molecular formula C13H9ClN6 and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID143767417
Molecular FormulaC13H9ClN6
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1nc(Nc2cccc3[nH]ncc23)c2cc[nH]c2n1
InChIInChI=1S/C13H9ClN6/c14-13-18-11-7(4-5-15-11)12(19-13)17-9-2-1-3-10-8(9)6-16-20-10/h1-6H,(H,16,20)(H2,15,17,18,19)
InChIKeyZBXXDXKUMIHMKF-UHFFFAOYSA-N
XLogP3.23
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 143767417) is 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Clc1nc(Nc2cccc3[nH]ncc23)c2cc[nH]c2n1.
What is the InChIKey of 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZBXXDXKUMIHMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6/c14-13-18-11-7(4-5-15-11)12(19-13)17-9-2-1-3-10-8(9)6-16-20-10/h1-6H,(H,16,20)(H2,15,17,18,19).
What are the key properties of 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 284.71 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 143767417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).