methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate

C18H16ClN3O2 — CID 166161801

IUPACmethyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2cnn(Cc3ccc(C4CC4)cn3)c12
InChIInChI=1S/C18H16ClN3O2/c1-24-18(23)16-7-14(19)6-13-9-21-22(17(13)16)10-15-5-4-12(8-20-15)11-2-3-11/h4-9,11H,2-3,10H2,1H3
InChIKeyLLHSCVNYQWRKKS-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.80
Rot. Bonds4

About methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate

methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate (PubChem CID 166161801) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate
PubChem CID166161801
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Namemethyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2cnn(Cc3ccc(C4CC4)cn3)c12
InChIInChI=1S/C18H16ClN3O2/c1-24-18(23)16-7-14(19)6-13-9-21-22(17(13)16)10-15-5-4-12(8-20-15)11-2-3-11/h4-9,11H,2-3,10H2,1H3
InChIKeyLLHSCVNYQWRKKS-UHFFFAOYSA-N
XLogP3.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate?
The IUPAC name of methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate (CID 166161801) is methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate.
What is the SMILES notation for methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate?
The canonical SMILES for methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate is COC(=O)c1cc(Cl)cc2cnn(Cc3ccc(C4CC4)cn3)c12.
What is the InChIKey of methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate?
The InChIKey is LLHSCVNYQWRKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-18(23)16-7-14(19)6-13-9-21-22(17(13)16)10-15-5-4-12(8-20-15)11-2-3-11/h4-9,11H,2-3,10H2,1H3.
What are the key properties of methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate?
methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate has a molecular weight of 341.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate is sourced from PubChem (CID 166161801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).