[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

C15H11ClN4O3 — CID 2636108

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11ClN4O3/c16-9-5-6-12(17-7-9)18-13(21)8-23-15(22)14-10-3-1-2-4-11(10)19-20-14/h1-7H,8H2,(H,19,20)(H,17,18,21)
InChIKeyURQAKVWBPNUWPP-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.41
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2636108) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2636108
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11ClN4O3/c16-9-5-6-12(17-7-9)18-13(21)8-23-15(22)14-10-3-1-2-4-11(10)19-20-14/h1-7H,8H2,(H,19,20)(H,17,18,21)
InChIKeyURQAKVWBPNUWPP-UHFFFAOYSA-N
XLogP2.41
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2636108) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is URQAKVWBPNUWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c16-9-5-6-12(17-7-9)18-13(21)8-23-15(22)14-10-3-1-2-4-11(10)19-20-14/h1-7H,8H2,(H,19,20)(H,17,18,21).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 330.73 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2636108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).