5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine

C23H18ClN7O — CID 58540645

IUPAC5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine
SMILESClc1cccnc1-c1cc(OCCc2ccccn2)c2[nH]nc(Nc3cnccn3)c2c1
InChIInChI=1S/C23H18ClN7O/c24-18-5-3-8-28-21(18)15-12-17-22(30-31-23(17)29-20-14-25-9-10-27-20)19(13-15)32-11-6-16-4-1-2-7-26-16/h1-5,7-10,12-14H,6,11H2,(H2,27,29,30,31)
InChIKeyROUWETZUIYHARJ-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.83
Rot. Bonds7

About 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine

5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine (PubChem CID 58540645) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine
PubChem CID58540645
Molecular FormulaC23H18ClN7O
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine
SMILESClc1cccnc1-c1cc(OCCc2ccccn2)c2[nH]nc(Nc3cnccn3)c2c1
InChIInChI=1S/C23H18ClN7O/c24-18-5-3-8-28-21(18)15-12-17-22(30-31-23(17)29-20-14-25-9-10-27-20)19(13-15)32-11-6-16-4-1-2-7-26-16/h1-5,7-10,12-14H,6,11H2,(H2,27,29,30,31)
InChIKeyROUWETZUIYHARJ-UHFFFAOYSA-N
XLogP4.83
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine (CID 58540645) is 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine is Clc1cccnc1-c1cc(OCCc2ccccn2)c2[nH]nc(Nc3cnccn3)c2c1.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
The InChIKey is ROUWETZUIYHARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c24-18-5-3-8-28-21(18)15-12-17-22(30-31-23(17)29-20-14-25-9-10-27-20)19(13-15)32-11-6-16-4-1-2-7-26-16/h1-5,7-10,12-14H,6,11H2,(H2,27,29,30,31).
What are the key properties of 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine?
5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine has a molecular weight of 443.90 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-N-pyrazin-2-yl-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-amine is sourced from PubChem (CID 58540645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).