3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole

C18H18ClN3O — CID 11587925

IUPAC3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole
SMILESClc1c2ccccc2nn1-c1ccc(OC[C@H]2CCCN2)cc1
InChIInChI=1S/C18H18ClN3O/c19-18-16-5-1-2-6-17(16)21-22(18)14-7-9-15(10-8-14)23-12-13-4-3-11-20-13/h1-2,5-10,13,20H,3-4,11-12H2/t13-/m1/s1
InChIKeyZIRHEVLWOJCMOZ-CYBMUJFWSA-N
MW327.82 g/mol
LogP3.81
Rot. Bonds4

About 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole

3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole (PubChem CID 11587925) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole.

Molecular Properties

Compound Name3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole
PubChem CID11587925
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole
SMILESClc1c2ccccc2nn1-c1ccc(OC[C@H]2CCCN2)cc1
InChIInChI=1S/C18H18ClN3O/c19-18-16-5-1-2-6-17(16)21-22(18)14-7-9-15(10-8-14)23-12-13-4-3-11-20-13/h1-2,5-10,13,20H,3-4,11-12H2/t13-/m1/s1
InChIKeyZIRHEVLWOJCMOZ-CYBMUJFWSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole?
The IUPAC name of 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole (CID 11587925) is 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole.
What is the SMILES notation for 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole?
The canonical SMILES for 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole is Clc1c2ccccc2nn1-c1ccc(OC[C@H]2CCCN2)cc1.
What is the InChIKey of 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole?
The InChIKey is ZIRHEVLWOJCMOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-18-16-5-1-2-6-17(16)21-22(18)14-7-9-15(10-8-14)23-12-13-4-3-11-20-13/h1-2,5-10,13,20H,3-4,11-12H2/t13-/m1/s1.
What are the key properties of 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole?
3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole has a molecular weight of 327.82 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]indazole is sourced from PubChem (CID 11587925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).